5-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid

C21H21NO3 — CID 144560014

IUPAC5-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid
SMILESCC1(c2[nH]c3cc(C4CC4)ccc3c2Cc2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C21H21NO3/c1-21(8-9-21)19-16(11-14-5-7-18(25-14)20(23)24)15-6-4-13(12-2-3-12)10-17(15)22-19/h4-7,10,12,22H,2-3,8-9,11H2,1H3,(H,23,24)
InChIKeyODUXUBLANPLZPL-UHFFFAOYSA-N
MW335.40 g/mol
LogP4.98
Rot. Bonds5

About 5-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid

5-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid (PubChem CID 144560014) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is 5-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid
PubChem CID144560014
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name5-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid
SMILESCC1(c2[nH]c3cc(C4CC4)ccc3c2Cc2ccc(C(=O)O)o2)CC1
InChIInChI=1S/C21H21NO3/c1-21(8-9-21)19-16(11-14-5-7-18(25-14)20(23)24)15-6-4-13(12-2-3-12)10-17(15)22-19/h4-7,10,12,22H,2-3,8-9,11H2,1H3,(H,23,24)
InChIKeyODUXUBLANPLZPL-UHFFFAOYSA-N
XLogP4.98
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid with MolForge

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Related Compounds

6-[[6-ethyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 72949581
6-[[2-(1-methylcyclopropyl)-6-propan-2-yloxy-1H-indol-3-yl]methyl]pyridine-2-carboxylic acid
CID 144559991
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892
5-[[[2-(4-phenylcyclohexyl)acetyl]amino]methyl]furan-2-carboxylic acid
CID 119246162
5-(4,4-dimethylcyclohexyl)oxyfuran-2-carboxylic acid
CID 114340758
5-[(2-tert-butyl-6-methyl-1H-indol-3-yl)methyl]-N-oxofuran-2-carboxamide
CID 88591940
6-cyclopropyl-1H-indole-2-carboxylic acid
CID 79983056
bis(5-carboxyfuran-2-yl)iodanium
CID 139729150
5-[[(2,2-dimethylcyclohexanecarbonyl)amino]methyl]furan-2-carboxylic acid
CID 107175730
5-pentadecylfuran-2-carboxylic acid
CID 177129672
5-(2-methylbutan-2-yloxymethyl)furan-2-carboxylic acid
CID 43126906
5-[(2-ethylphenyl)methyl]furan-2-carboxylic acid
CID 21387582

Frequently Asked Questions

What is the IUPAC name of 5-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid?
The IUPAC name of 5-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid (CID 144560014) is 5-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid is CC1(c2[nH]c3cc(C4CC4)ccc3c2Cc2ccc(C(=O)O)o2)CC1.
What is the InChIKey of 5-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid?
The InChIKey is ODUXUBLANPLZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c1-21(8-9-21)19-16(11-14-5-7-18(25-14)20(23)24)15-6-4-13(12-2-3-12)10-17(15)22-19/h4-7,10,12,22H,2-3,8-9,11H2,1H3,(H,23,24).
What are the key properties of 5-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid?
5-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid has a molecular weight of 335.40 g/mol, XLogP of 4.98, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-cyclopropyl-2-(1-methylcyclopropyl)-1H-indol-3-yl]methyl]furan-2-carboxylic acid is sourced from PubChem (CID 144560014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).