1-(4-chloro-1-methylindol-6-yl)cyclopentane-1-carboxylic acid

C15H16ClNO2 — CID 117445302

IUPAC1-(4-chloro-1-methylindol-6-yl)cyclopentane-1-carboxylic acid
SMILESCn1ccc2c(Cl)cc(C3(C(=O)O)CCCC3)cc21
InChIInChI=1S/C15H16ClNO2/c1-17-7-4-11-12(16)8-10(9-13(11)17)15(14(18)19)5-2-3-6-15/h4,7-9H,2-3,5-6H2,1H3,(H,18,19)
InChIKeyODJFHLGRELFUFQ-UHFFFAOYSA-N
MW277.75 g/mol
LogP3.73
Rot. Bonds2

About 1-(4-chloro-1-methylindol-6-yl)cyclopentane-1-carboxylic acid

1-(4-chloro-1-methylindol-6-yl)cyclopentane-1-carboxylic acid (PubChem CID 117445302) has the molecular formula C15H16ClNO2 and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-(4-chloro-1-methylindol-6-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-chloro-1-methylindol-6-yl)cyclopentane-1-carboxylic acid
PubChem CID117445302
Molecular FormulaC15H16ClNO2
Molecular Weight277.75 g/mol
Exact Mass277.09
IUPAC Name1-(4-chloro-1-methylindol-6-yl)cyclopentane-1-carboxylic acid
SMILESCn1ccc2c(Cl)cc(C3(C(=O)O)CCCC3)cc21
InChIInChI=1S/C15H16ClNO2/c1-17-7-4-11-12(16)8-10(9-13(11)17)15(14(18)19)5-2-3-6-15/h4,7-9H,2-3,5-6H2,1H3,(H,18,19)
InChIKeyODJFHLGRELFUFQ-UHFFFAOYSA-N
XLogP3.73
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-1-methylindol-5-yl)cyclopentane-1-carboxylic acid
CID 117445299
1-(1-methylindol-5-yl)cyclobutane-1-carboxylic acid
CID 96802129
1-(3-chloro-1-methylindol-5-yl)cyclopropane-1-carboxylic acid
CID 117377902
1-(3-chloro-4-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117430133
1-(1,3-dimethylindazol-6-yl)cyclohexane-1-carboxylic acid
CID 117433820
1-(3-methylbenzene-4-id-1-yl)cyclopentane-1-carboxylic acid;yttrium
CID 58954909
1-(1,4-dimethyl-2,3-dihydroquinoxalin-6-yl)cyclohexane-1-carboxylic acid
CID 117466068
1-(3,4,5-trimethylphenyl)cyclopentane-1-carboxylic acid
CID 117336685
1-[4-(1-methylpiperidin-4-yl)phenyl]cyclopentane-1-carboxylic acid
CID 117463978
1-(3-chloro-4-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid
CID 117474090
1-(3-bromo-1-methylindazol-6-yl)cyclobutane-1-carboxylic acid
CID 117493871
1-(3-chloro-1H-indol-5-yl)cyclohexane-1-carboxylic acid
CID 117445308

Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylindol-6-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4-chloro-1-methylindol-6-yl)cyclopentane-1-carboxylic acid (CID 117445302) is 1-(4-chloro-1-methylindol-6-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4-chloro-1-methylindol-6-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4-chloro-1-methylindol-6-yl)cyclopentane-1-carboxylic acid is Cn1ccc2c(Cl)cc(C3(C(=O)O)CCCC3)cc21.
What is the InChIKey of 1-(4-chloro-1-methylindol-6-yl)cyclopentane-1-carboxylic acid?
The InChIKey is ODJFHLGRELFUFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2/c1-17-7-4-11-12(16)8-10(9-13(11)17)15(14(18)19)5-2-3-6-15/h4,7-9H,2-3,5-6H2,1H3,(H,18,19).
What are the key properties of 1-(4-chloro-1-methylindol-6-yl)cyclopentane-1-carboxylic acid?
1-(4-chloro-1-methylindol-6-yl)cyclopentane-1-carboxylic acid has a molecular weight of 277.75 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylindol-6-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117445302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).