2-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole-3-carbaldehyde;2-(3H-indene-1-carbonyl)-1H-indole-3-carbaldehyde;[2-[1-(3H-inden-1-yl)ethyl]-1H-indol-3-yl]methanol;2-[3H-inden-1-yl(methoxy)methyl]-1H-indole-3-carbaldehyde;[2-(3H-inden-1-ylmethyl)-1H-indol-3-yl]methanol;methyl 2-[1-(3H-inden-1-yl)ethyl]-1H-indole-3-carboxylate

C121H104N6O9 — CID 165029068

IUPAC2-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole-3-carbaldehyde;2-(3H-indene-1-carbonyl)-1H-indole-3-carbaldehyde;[2-[1-(3H-inden-1-yl)ethyl]-1H-indol-3-yl]methanol;2-[3H-inden-1-yl(methoxy)methyl]-1H-indole-3-carbaldehyde;[2-(3H-inden-1-ylmethyl)-1H-indol-3-yl]methanol;methyl 2-[1-(3H-inden-1-yl)ethyl]-1H-indole-3-carboxylate
SMILESCC(C1=CCc2ccccc21)c1[nH]c2ccccc2c1CO.COC(=O)c1c(C(C)C2=CCc3ccccc32)[nH]c2ccccc12.COC(C1=CCc2ccccc21)c1[nH]c2ccccc2c1C=O.O=Cc1c(C(=O)C2=CCc3ccccc32)[nH]c2ccccc12.O=Cc1c(C(C2=CCc3ccccc32)C2CC2)[nH]c2ccccc12.OCc1c(CC2=CCc3ccccc32)[nH]c2ccccc12
InChIInChI=1S/C22H19NO.C21H19NO2.C20H17NO2.C20H19NO.C19H13NO2.C19H17NO/c24-13-19-17-7-3-4-8-20(17)23-22(19)21(15-9-10-15)18-12-11-14-5-1-2-6-16(14)18;1-13(15-12-11-14-7-3-4-8-16(14)15)20-19(21(23)24-2)17-9-5-6-10-18(17)22-20;1-23-20(16-11-10-13-6-2-3-7-14(13)16)19-17(12-22)15-8-4-5-9-18(15)21-19;1-13(15-11-10-14-6-2-3-7-16(14)15)20-18(12-22)17-8-4-5-9-19(17)21-20;21-11-16-14-7-3-4-8-17(14)20-18(16)19(22)15-10-9-12-5-1-2-6-13(12)15;21-12-17-16-7-3-4-8-18(16)20-19(17)11-14-10-9-13-5-1-2-6-15(13)14/h1-8,12-13,15,21,23H,9-11H2;3-10,12-13,22H,11H2,1-2H3;2-9,11-12,20-21H,10H2,1H3;2-9,11,13,21-22H,10,12H2,1H3;1-8,10-11,20H,9H2;1-8,10,20-21H,9,11-12H2
InChIKeyMIWYFOCBIYNLHW-UHFFFAOYSA-N
MW1786.20 g/mol
LogP26.17
Rot. Bonds20

About 2-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole-3-carbaldehyde;2-(3H-indene-1-carbonyl)-1H-indole-3-carbaldehyde;[2-[1-(3H-inden-1-yl)ethyl]-1H-indol-3-yl]methanol;2-[3H-inden-1-yl(methoxy)methyl]-1H-indole-3-carbaldehyde;[2-(3H-inden-1-ylmethyl)-1H-indol-3-yl]methanol;methyl 2-[1-(3H-inden-1-yl)ethyl]-1H-indole-3-carboxylate

2-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole-3-carbaldehyde;2-(3H-indene-1-carbonyl)-1H-indole-3-carbaldehyde;[2-[1-(3H-inden-1-yl)ethyl]-1H-indol-3-yl]methanol;2-[3H-inden-1-yl(methoxy)methyl]-1H-indole-3-carbaldehyde;[2-(3H-inden-1-ylmethyl)-1H-indol-3-yl]methanol;methyl 2-[1-(3H-inden-1-yl)ethyl]-1H-indole-3-carboxylate (PubChem CID 165029068) has the molecular formula C121H104N6O9 and a molecular weight of 1786.20 g/mol. Its IUPAC name is 2-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole-3-carbaldehyde;2-(3H-indene-1-carbonyl)-1H-indole-3-carbaldehyde;[2-[1-(3H-inden-1-yl)ethyl]-1H-indol-3-yl]methanol;2-[3H-inden-1-yl(methoxy)methyl]-1H-indole-3-carbaldehyde;[2-(3H-inden-1-ylmethyl)-1H-indol-3-yl]methanol;methyl 2-[1-(3H-inden-1-yl)ethyl]-1H-indole-3-carboxylate.

Molecular Properties

Compound Name2-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole-3-carbaldehyde;2-(3H-indene-1-carbonyl)-1H-indole-3-carbaldehyde;[2-[1-(3H-inden-1-yl)ethyl]-1H-indol-3-yl]methanol;2-[3H-inden-1-yl(methoxy)methyl]-1H-indole-3-carbaldehyde;[2-(3H-inden-1-ylmethyl)-1H-indol-3-yl]methanol;methyl 2-[1-(3H-inden-1-yl)ethyl]-1H-indole-3-carboxylate
PubChem CID165029068
Molecular FormulaC121H104N6O9
Molecular Weight1786.20 g/mol
Exact Mass1784.79
IUPAC Name2-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole-3-carbaldehyde;2-(3H-indene-1-carbonyl)-1H-indole-3-carbaldehyde;[2-[1-(3H-inden-1-yl)ethyl]-1H-indol-3-yl]methanol;2-[3H-inden-1-yl(methoxy)methyl]-1H-indole-3-carbaldehyde;[2-(3H-inden-1-ylmethyl)-1H-indol-3-yl]methanol;methyl 2-[1-(3H-inden-1-yl)ethyl]-1H-indole-3-carboxylate
SMILESCC(C1=CCc2ccccc21)c1[nH]c2ccccc2c1CO.COC(=O)c1c(C(C)C2=CCc3ccccc32)[nH]c2ccccc12.COC(C1=CCc2ccccc21)c1[nH]c2ccccc2c1C=O.O=Cc1c(C(=O)C2=CCc3ccccc32)[nH]c2ccccc12.O=Cc1c(C(C2=CCc3ccccc32)C2CC2)[nH]c2ccccc12.OCc1c(CC2=CCc3ccccc32)[nH]c2ccccc12
InChIInChI=1S/C22H19NO.C21H19NO2.C20H17NO2.C20H19NO.C19H13NO2.C19H17NO/c24-13-19-17-7-3-4-8-20(17)23-22(19)21(15-9-10-15)18-12-11-14-5-1-2-6-16(14)18;1-13(15-12-11-14-7-3-4-8-16(14)15)20-19(21(23)24-2)17-9-5-6-10-18(17)22-20;1-23-20(16-11-10-13-6-2-3-7-14(13)16)19-17(12-22)15-8-4-5-9-18(15)21-19;1-13(15-11-10-14-6-2-3-7-16(14)15)20-18(12-22)17-8-4-5-9-19(17)21-20;21-11-16-14-7-3-4-8-17(14)20-18(16)19(22)15-10-9-12-5-1-2-6-13(12)15;21-12-17-16-7-3-4-8-18(16)20-19(17)11-14-10-9-13-5-1-2-6-15(13)14/h1-8,12-13,15,21,23H,9-11H2;3-10,12-13,22H,11H2,1-2H3;2-9,11-12,20-21H,10H2,1H3;2-9,11,13,21-22H,10,12H2,1H3;1-8,10-11,20H,9H2;1-8,10,20-21H,9,11-12H2
InChIKeyMIWYFOCBIYNLHW-UHFFFAOYSA-N
XLogP26.17
TPSA239.01 Ų
H-Bond Donors8
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms136
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001786.20
LogP ≤ 526.17
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole-3-carbaldehyde;2-(3H-indene-1-carbonyl)-1H-indole-3-carbaldehyde;[2-[1-(3H-inden-1-yl)ethyl]-1H-indol-3-yl]methanol;2-[3H-inden-1-yl(methoxy)methyl]-1H-indole-3-carbaldehyde;[2-(3H-inden-1-ylmethyl)-1H-indol-3-yl]methanol;methyl 2-[1-(3H-inden-1-yl)ethyl]-1H-indole-3-carboxylate with MolForge

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Related Compounds

3-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole;2-[1-(1-formylindol-3-yl)ethyl]-5-methyl-1H-indole-3-carbaldehyde;2-hydroxy-3-[2-(1H-indol-3-ylmethyl)-1H-indol-3-yl]propanoic acid;2-[1-(1H-indol-3-yl)ethyl]-5-methylindole-1,3-dicarbaldehyde;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-1H-indole-3-carboxylate;methyl 2-[cyclopropyl(1H-indol-3-yl)methyl]-5-methyl-1H-indole-3-carboxylate
CID 163703874
ethane;methyl 3-formyl-1H-indole-2-carboxylate
CID 143494583
2-[1-[5-[3-(hydroxymethyl)-2-(1H-indol-3-ylmethyl)-1H-indol-5-yl]-1H-indol-3-yl]ethyl]-1H-indole-3-carbaldehyde
CID 146186277
methyl 2-methyl-1H-indole-3-carboxylate
CID 594174
N-cyclopropyl-3-methoxy-1H-indole-2-carboxamide
CID 166192754
2-(3-formyl-1H-indol-2-yl)butanoic acid
CID 139949570
methyl 2-methylsulfanyl-1H-indole-3-carboxylate
CID 11481434
2-(3-formyl-1H-indol-2-yl)acetic acid
CID 14636516
methyl 2-methyl-3-[2-[1-(2,3,4-trimethoxyphenyl)ethyl]-1H-indol-3-yl]propanoate
CID 70345824
methyl 3-propanoyl-1H-indole-2-carboxylate
CID 23245117
N-(cyclopropylmethyl)-2-methyl-1H-indole-3-carboxamide
CID 34829550
methyl 3-(hydroxyiminomethyl)-1H-indole-2-carboxylate
CID 135463087

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole-3-carbaldehyde;2-(3H-indene-1-carbonyl)-1H-indole-3-carbaldehyde;[2-[1-(3H-inden-1-yl)ethyl]-1H-indol-3-yl]methanol;2-[3H-inden-1-yl(methoxy)methyl]-1H-indole-3-carbaldehyde;[2-(3H-inden-1-ylmethyl)-1H-indol-3-yl]methanol;methyl 2-[1-(3H-inden-1-yl)ethyl]-1H-indole-3-carboxylate?
The IUPAC name of 2-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole-3-carbaldehyde;2-(3H-indene-1-carbonyl)-1H-indole-3-carbaldehyde;[2-[1-(3H-inden-1-yl)ethyl]-1H-indol-3-yl]methanol;2-[3H-inden-1-yl(methoxy)methyl]-1H-indole-3-carbaldehyde;[2-(3H-inden-1-ylmethyl)-1H-indol-3-yl]methanol;methyl 2-[1-(3H-inden-1-yl)ethyl]-1H-indole-3-carboxylate (CID 165029068) is 2-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole-3-carbaldehyde;2-(3H-indene-1-carbonyl)-1H-indole-3-carbaldehyde;[2-[1-(3H-inden-1-yl)ethyl]-1H-indol-3-yl]methanol;2-[3H-inden-1-yl(methoxy)methyl]-1H-indole-3-carbaldehyde;[2-(3H-inden-1-ylmethyl)-1H-indol-3-yl]methanol;methyl 2-[1-(3H-inden-1-yl)ethyl]-1H-indole-3-carboxylate.
What is the SMILES notation for 2-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole-3-carbaldehyde;2-(3H-indene-1-carbonyl)-1H-indole-3-carbaldehyde;[2-[1-(3H-inden-1-yl)ethyl]-1H-indol-3-yl]methanol;2-[3H-inden-1-yl(methoxy)methyl]-1H-indole-3-carbaldehyde;[2-(3H-inden-1-ylmethyl)-1H-indol-3-yl]methanol;methyl 2-[1-(3H-inden-1-yl)ethyl]-1H-indole-3-carboxylate?
The canonical SMILES for 2-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole-3-carbaldehyde;2-(3H-indene-1-carbonyl)-1H-indole-3-carbaldehyde;[2-[1-(3H-inden-1-yl)ethyl]-1H-indol-3-yl]methanol;2-[3H-inden-1-yl(methoxy)methyl]-1H-indole-3-carbaldehyde;[2-(3H-inden-1-ylmethyl)-1H-indol-3-yl]methanol;methyl 2-[1-(3H-inden-1-yl)ethyl]-1H-indole-3-carboxylate is CC(C1=CCc2ccccc21)c1[nH]c2ccccc2c1CO.COC(=O)c1c(C(C)C2=CCc3ccccc32)[nH]c2ccccc12.COC(C1=CCc2ccccc21)c1[nH]c2ccccc2c1C=O.O=Cc1c(C(=O)C2=CCc3ccccc32)[nH]c2ccccc12.O=Cc1c(C(C2=CCc3ccccc32)C2CC2)[nH]c2ccccc12.OCc1c(CC2=CCc3ccccc32)[nH]c2ccccc12.
What is the InChIKey of 2-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole-3-carbaldehyde;2-(3H-indene-1-carbonyl)-1H-indole-3-carbaldehyde;[2-[1-(3H-inden-1-yl)ethyl]-1H-indol-3-yl]methanol;2-[3H-inden-1-yl(methoxy)methyl]-1H-indole-3-carbaldehyde;[2-(3H-inden-1-ylmethyl)-1H-indol-3-yl]methanol;methyl 2-[1-(3H-inden-1-yl)ethyl]-1H-indole-3-carboxylate?
The InChIKey is MIWYFOCBIYNLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO.C21H19NO2.C20H17NO2.C20H19NO.C19H13NO2.C19H17NO/c24-13-19-17-7-3-4-8-20(17)23-22(19)21(15-9-10-15)18-12-11-14-5-1-2-6-16(14)18;1-13(15-12-11-14-7-3-4-8-16(14)15)20-19(21(23)24-2)17-9-5-6-10-18(17)22-20;1-23-20(16-11-10-13-6-2-3-7-14(13)16)19-17(12-22)15-8-4-5-9-18(15)21-19;1-13(15-11-10-14-6-2-3-7-16(14)15)20-18(12-22)17-8-4-5-9-19(17)21-20;21-11-16-14-7-3-4-8-17(14)20-18(16)19(22)15-10-9-12-5-1-2-6-13(12)15;21-12-17-16-7-3-4-8-18(16)20-19(17)11-14-10-9-13-5-1-2-6-15(13)14/h1-8,12-13,15,21,23H,9-11H2;3-10,12-13,22H,11H2,1-2H3;2-9,11-12,20-21H,10H2,1H3;2-9,11,13,21-22H,10,12H2,1H3;1-8,10-11,20H,9H2;1-8,10,20-21H,9,11-12H2.
What are the key properties of 2-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole-3-carbaldehyde;2-(3H-indene-1-carbonyl)-1H-indole-3-carbaldehyde;[2-[1-(3H-inden-1-yl)ethyl]-1H-indol-3-yl]methanol;2-[3H-inden-1-yl(methoxy)methyl]-1H-indole-3-carbaldehyde;[2-(3H-inden-1-ylmethyl)-1H-indol-3-yl]methanol;methyl 2-[1-(3H-inden-1-yl)ethyl]-1H-indole-3-carboxylate?
2-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole-3-carbaldehyde;2-(3H-indene-1-carbonyl)-1H-indole-3-carbaldehyde;[2-[1-(3H-inden-1-yl)ethyl]-1H-indol-3-yl]methanol;2-[3H-inden-1-yl(methoxy)methyl]-1H-indole-3-carbaldehyde;[2-(3H-inden-1-ylmethyl)-1H-indol-3-yl]methanol;methyl 2-[1-(3H-inden-1-yl)ethyl]-1H-indole-3-carboxylate has a molecular weight of 1786.20 g/mol, XLogP of 26.17, 20 rotatable bonds, 8 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(3H-inden-1-yl)methyl]-1H-indole-3-carbaldehyde;2-(3H-indene-1-carbonyl)-1H-indole-3-carbaldehyde;[2-[1-(3H-inden-1-yl)ethyl]-1H-indol-3-yl]methanol;2-[3H-inden-1-yl(methoxy)methyl]-1H-indole-3-carbaldehyde;[2-(3H-inden-1-ylmethyl)-1H-indol-3-yl]methanol;methyl 2-[1-(3H-inden-1-yl)ethyl]-1H-indole-3-carboxylate is sourced from PubChem (CID 165029068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).