1-(cyclohexylmethyl)indole-4-carboxylic acid

C16H19NO2 — CID 43316618

IUPAC1-(cyclohexylmethyl)indole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1ccn2CC1CCCCC1
InChIInChI=1S/C16H19NO2/c18-16(19)14-7-4-8-15-13(14)9-10-17(15)11-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H,18,19)
InChIKeyIUXZGLNAMXCBIP-UHFFFAOYSA-N
MW257.33 g/mol
LogP3.92
Rot. Bonds3

About 1-(cyclohexylmethyl)indole-4-carboxylic acid

1-(cyclohexylmethyl)indole-4-carboxylic acid (PubChem CID 43316618) has the molecular formula C16H19NO2 and a molecular weight of 257.33 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)indole-4-carboxylic acid.

Molecular Properties

Compound Name1-(cyclohexylmethyl)indole-4-carboxylic acid
PubChem CID43316618
Molecular FormulaC16H19NO2
Molecular Weight257.33 g/mol
Exact Mass257.14
IUPAC Name1-(cyclohexylmethyl)indole-4-carboxylic acid
SMILESO=C(O)c1cccc2c1ccn2CC1CCCCC1
InChIInChI=1S/C16H19NO2/c18-16(19)14-7-4-8-15-13(14)9-10-17(15)11-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H,18,19)
InChIKeyIUXZGLNAMXCBIP-UHFFFAOYSA-N
XLogP3.92
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.33
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(oxan-4-ylmethyl)indole-4-carboxylic acid
CID 62385888
1-(2-pyrrolidin-1-ylethyl)indole-4-carboxylic acid
CID 43316574
1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one
CID 115106908
1-[2-[cyclopropyl(methyl)amino]-2-oxoethyl]indole-4-carboxylic acid
CID 61489506
1-[2-[cyclopropyl(ethyl)amino]-2-oxoethyl]indole-4-carboxylic acid
CID 61488702
3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid
CID 115107009
2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol
CID 117118984
1-[(5-chloro-2-cyclopentyloxyphenyl)methyl]indole-4-carboxylic acid
CID 89444476
1-[(E)-but-2-enyl]indole-4-carboxylic acid
CID 43316639
7-chloro-1-(cyclohexylmethyl)indole-3-carboxylic acid
CID 68674009
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
1-(2,2,3,3,3-pentafluoropropyl)indole-4-carboxylic acid
CID 121494134

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)indole-4-carboxylic acid?
The IUPAC name of 1-(cyclohexylmethyl)indole-4-carboxylic acid (CID 43316618) is 1-(cyclohexylmethyl)indole-4-carboxylic acid.
What is the SMILES notation for 1-(cyclohexylmethyl)indole-4-carboxylic acid?
The canonical SMILES for 1-(cyclohexylmethyl)indole-4-carboxylic acid is O=C(O)c1cccc2c1ccn2CC1CCCCC1.
What is the InChIKey of 1-(cyclohexylmethyl)indole-4-carboxylic acid?
The InChIKey is IUXZGLNAMXCBIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO2/c18-16(19)14-7-4-8-15-13(14)9-10-17(15)11-12-5-2-1-3-6-12/h4,7-10,12H,1-3,5-6,11H2,(H,18,19).
What are the key properties of 1-(cyclohexylmethyl)indole-4-carboxylic acid?
1-(cyclohexylmethyl)indole-4-carboxylic acid has a molecular weight of 257.33 g/mol, XLogP of 3.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)indole-4-carboxylic acid is sourced from PubChem (CID 43316618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).