2-(5-chloro-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid

C16H16ClNO3 — CID 114391989

IUPAC2-(5-chloro-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)c2c[nH]c3ccc(Cl)cc23)C1
InChIInChI=1S/C16H16ClNO3/c1-8-4-11(12(5-8)16(20)21)15(19)13-7-18-14-3-2-9(17)6-10(13)14/h2-3,6-8,11-12,18H,4-5H2,1H3,(H,20,21)
InChIKeyQQJYFZVTHDWBHV-UHFFFAOYSA-N
MW305.76 g/mol
LogP3.75
Rot. Bonds3

About 2-(5-chloro-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid

2-(5-chloro-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid (PubChem CID 114391989) has the molecular formula C16H16ClNO3 and a molecular weight of 305.76 g/mol. Its IUPAC name is 2-(5-chloro-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-chloro-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid
PubChem CID114391989
Molecular FormulaC16H16ClNO3
Molecular Weight305.76 g/mol
Exact Mass305.08
IUPAC Name2-(5-chloro-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid
SMILESCC1CC(C(=O)O)C(C(=O)c2c[nH]c3ccc(Cl)cc23)C1
InChIInChI=1S/C16H16ClNO3/c1-8-4-11(12(5-8)16(20)21)15(19)13-7-18-14-3-2-9(17)6-10(13)14/h2-3,6-8,11-12,18H,4-5H2,1H3,(H,20,21)
InChIKeyQQJYFZVTHDWBHV-UHFFFAOYSA-N
XLogP3.75
TPSA70.16 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.76
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-bromo-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid
CID 114391844
(5-chloro-1H-indol-3-yl)-pyrrolidin-2-ylmethanone
CID 64866390
(5-chloro-1H-indol-3-yl)-(oxolan-2-yl)methanone
CID 63879050
propan-2-yl 2-(5-chloro-1H-indol-3-yl)-2-oxoacetate
CID 10333108
CID 162765558
CID 162765558
(5-chloro-1H-indol-3-yl)-(4-methylphenyl)methanone
CID 59430906
5-chloro-N-propan-2-yl-1H-indole-3-carboxamide
CID 69197000
(2R)-1-(5-chloro-1H-indol-3-yl)-2-(methylamino)propan-1-one
CID 169025511
(5-chloro-1H-indol-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 63878016
3-(5-methoxy-1H-indole-3-carbonyl)cyclopentane-1-carboxylic acid
CID 103551734
4-(5-chloro-1H-indol-3-yl)-4-hydroxybut-3-en-2-one;4-(5-chloro-1H-indol-3-yl)-4-hydroxy-2-oxobut-3-enoic acid
CID 160738142
trans-(1S,2S)-2-(3-cyano-1H-indole-5-carbonyl)cyclopropane-1-carboxylic acid
CID 71612690

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-(5-chloro-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid (CID 114391989) is 2-(5-chloro-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(5-chloro-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(5-chloro-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid is CC1CC(C(=O)O)C(C(=O)c2c[nH]c3ccc(Cl)cc23)C1.
What is the InChIKey of 2-(5-chloro-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid?
The InChIKey is QQJYFZVTHDWBHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3/c1-8-4-11(12(5-8)16(20)21)15(19)13-7-18-14-3-2-9(17)6-10(13)14/h2-3,6-8,11-12,18H,4-5H2,1H3,(H,20,21).
What are the key properties of 2-(5-chloro-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid?
2-(5-chloro-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid has a molecular weight of 305.76 g/mol, XLogP of 3.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1H-indole-3-carbonyl)-4-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114391989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).