ethane;(1-methylcyclopentyl)-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]methanone;propane

C23H37NO — CID 143423545

IUPACethane;(1-methylcyclopentyl)-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]methanone;propane
SMILESC/C=C/c1ccc2c(c1)CCN2C(=O)C1(C)CCCC1.CC.CCC
InChIInChI=1S/C18H23NO.C3H8.C2H6/c1-3-6-14-7-8-16-15(13-14)9-12-19(16)17(20)18(2)10-4-5-11-18;1-3-2;1-2/h3,6-8,13H,4-5,9-12H2,1-2H3;3H2,1-2H3;1-2H3/b6-3+;;
InChIKeyVVIQTZSDDPWPMD-RRHCXGJISA-N
MW343.56 g/mol
LogP6.63
Rot. Bonds2

About ethane;(1-methylcyclopentyl)-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]methanone;propane

ethane;(1-methylcyclopentyl)-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]methanone;propane (PubChem CID 143423545) has the molecular formula C23H37NO and a molecular weight of 343.56 g/mol. Its IUPAC name is ethane;(1-methylcyclopentyl)-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]methanone;propane.

Molecular Properties

Compound Nameethane;(1-methylcyclopentyl)-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]methanone;propane
PubChem CID143423545
Molecular FormulaC23H37NO
Molecular Weight343.56 g/mol
Exact Mass343.29
IUPAC Nameethane;(1-methylcyclopentyl)-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]methanone;propane
SMILESC/C=C/c1ccc2c(c1)CCN2C(=O)C1(C)CCCC1.CC.CCC
InChIInChI=1S/C18H23NO.C3H8.C2H6/c1-3-6-14-7-8-16-15(13-14)9-12-19(16)17(20)18(2)10-4-5-11-18;1-3-2;1-2/h3,6-8,13H,4-5,9-12H2,1-2H3;3H2,1-2H3;1-2H3/b6-3+;;
InChIKeyVVIQTZSDDPWPMD-RRHCXGJISA-N
XLogP6.63
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.56
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze ethane;(1-methylcyclopentyl)-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]methanone;propane with MolForge

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Related Compounds

1-(1-methylcyclohexanecarbonyl)-2,3-dihydroindole-6-carboxylic acid
CID 106826429
(4-methoxy-2-methylphenyl)-(5-prop-1-enyl-2,3-dihydroindol-1-yl)methanone
CID 59979403
1-(1-aminocyclopentanecarbonyl)-2,3-dihydroindole-5-carboxylic acid
CID 61159437
N-[4-(1-acetyl-2,3-dihydroindol-5-yl)but-3-enyl]acetamide
CID 170489483
1-(1-methylcyclohexanecarbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 106827391
1-[1-(aminomethyl)cyclobutanecarbonyl]-2,3-dihydroindole-5-carboxylic acid
CID 115448261
3-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)prop-2-enoic acid
CID 57367649
N-(1-acetyl-2,3-dihydroindol-5-yl)-1-aminocyclohexane-1-carboxamide
CID 119271757
N-(1-acetyl-2,3-dihydroindol-5-yl)-2-methyl-1-propanoylpyrrolidine-2-carboxamide
CID 46948542
(E)-3-(1-acetyl-2,3-dihydroindol-6-yl)prop-2-enoic acid
CID 70687221
N-[(1-hydroxycyclohexyl)methyl]-1-propanoyl-2,3-dihydroindole-5-carboxamide
CID 111446079
1-acetyl-N-[1-(aminomethyl)cyclopentyl]-2,3-dihydroindole-5-carboxamide
CID 119260765

Frequently Asked Questions

What is the IUPAC name of ethane;(1-methylcyclopentyl)-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]methanone;propane?
The IUPAC name of ethane;(1-methylcyclopentyl)-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]methanone;propane (CID 143423545) is ethane;(1-methylcyclopentyl)-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]methanone;propane.
What is the SMILES notation for ethane;(1-methylcyclopentyl)-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]methanone;propane?
The canonical SMILES for ethane;(1-methylcyclopentyl)-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]methanone;propane is C/C=C/c1ccc2c(c1)CCN2C(=O)C1(C)CCCC1.CC.CCC.
What is the InChIKey of ethane;(1-methylcyclopentyl)-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]methanone;propane?
The InChIKey is VVIQTZSDDPWPMD-RRHCXGJISA-N. The full InChI is InChI=1S/C18H23NO.C3H8.C2H6/c1-3-6-14-7-8-16-15(13-14)9-12-19(16)17(20)18(2)10-4-5-11-18;1-3-2;1-2/h3,6-8,13H,4-5,9-12H2,1-2H3;3H2,1-2H3;1-2H3/b6-3+;;.
What are the key properties of ethane;(1-methylcyclopentyl)-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]methanone;propane?
ethane;(1-methylcyclopentyl)-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]methanone;propane has a molecular weight of 343.56 g/mol, XLogP of 6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1-methylcyclopentyl)-[5-[(E)-prop-1-enyl]-2,3-dihydroindol-1-yl]methanone;propane is sourced from PubChem (CID 143423545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).