8-cyano-5-methyl-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid

C17H18N2O2 — CID 11543734

IUPAC8-cyano-5-methyl-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCc2c1[nH]c1c(C)ccc(C#N)c21
InChIInChI=1S/C17H18N2O2/c1-3-7-17(16(20)21)8-6-12-13-11(9-18)5-4-10(2)14(13)19-15(12)17/h4-5,19H,3,6-8H2,1-2H3,(H,20,21)
InChIKeyGXCUYACJTXNSGX-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.42
Rot. Bonds3

About 8-cyano-5-methyl-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid

8-cyano-5-methyl-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid (PubChem CID 11543734) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 8-cyano-5-methyl-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid.

Molecular Properties

Compound Name8-cyano-5-methyl-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid
PubChem CID11543734
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name8-cyano-5-methyl-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid
SMILESCCCC1(C(=O)O)CCc2c1[nH]c1c(C)ccc(C#N)c21
InChIInChI=1S/C17H18N2O2/c1-3-7-17(16(20)21)8-6-12-13-11(9-18)5-4-10(2)14(13)19-15(12)17/h4-5,19H,3,6-8H2,1-2H3,(H,20,21)
InChIKeyGXCUYACJTXNSGX-UHFFFAOYSA-N
XLogP3.42
TPSA76.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-cyano-5-methyl-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid?
The IUPAC name of 8-cyano-5-methyl-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid (CID 11543734) is 8-cyano-5-methyl-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid.
What is the SMILES notation for 8-cyano-5-methyl-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid?
The canonical SMILES for 8-cyano-5-methyl-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid is CCCC1(C(=O)O)CCc2c1[nH]c1c(C)ccc(C#N)c21.
What is the InChIKey of 8-cyano-5-methyl-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid?
The InChIKey is GXCUYACJTXNSGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O2/c1-3-7-17(16(20)21)8-6-12-13-11(9-18)5-4-10(2)14(13)19-15(12)17/h4-5,19H,3,6-8H2,1-2H3,(H,20,21).
What are the key properties of 8-cyano-5-methyl-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid?
8-cyano-5-methyl-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyano-5-methyl-3-propyl-2,4-dihydro-1H-cyclopenta[b]indole-3-carboxylic acid is sourced from PubChem (CID 11543734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).