2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol

C17H23NO — CID 117118984

IUPAC2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol
SMILESCC(CO)c1cccc2c1ccn2CC1CCCC1
InChIInChI=1S/C17H23NO/c1-13(12-19)15-7-4-8-17-16(15)9-10-18(17)11-14-5-2-3-6-14/h4,7-10,13-14,19H,2-3,5-6,11-12H2,1H3
InChIKeyJALJIABJMLGNCR-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.93
Rot. Bonds4

About 2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol

2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol (PubChem CID 117118984) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol
PubChem CID117118984
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol
SMILESCC(CO)c1cccc2c1ccn2CC1CCCC1
InChIInChI=1S/C17H23NO/c1-13(12-19)15-7-4-8-17-16(15)9-10-18(17)11-14-5-2-3-6-14/h4,7-10,13-14,19H,2-3,5-6,11-12H2,1H3
InChIKeyJALJIABJMLGNCR-UHFFFAOYSA-N
XLogP3.93
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(cyclobutylmethyl)indol-4-yl]propan-1-ol
CID 117118879
1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-ol
CID 115106892
1-(cyclohexylmethyl)indole-4-carboxylic acid
CID 43316618
1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one
CID 115106908
1-(cyclopropylmethyl)-4-ethoxyindole
CID 83173607
3-[1-(cyclopentylmethyl)indol-4-yl]propan-1-amine
CID 115106970
2-[1-(cyclopentylmethyl)indol-7-yl]propanoic acid
CID 115106600
2-(1-cyclopentylindol-3-yl)propan-1-ol
CID 115115568
1-(2-cyclopentylethyl)-4-methylindole
CID 114192720
4-ethoxy-1-(oxan-4-ylmethyl)indole
CID 83174245
2-(1-cyclobutylindol-7-yl)propan-1-ol
CID 115115262
3-[1-(cyclopropylmethyl)indol-4-yl]propanoic acid
CID 115107009

Frequently Asked Questions

What is the IUPAC name of 2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol?
The IUPAC name of 2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol (CID 117118984) is 2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol.
What is the SMILES notation for 2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol?
The canonical SMILES for 2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol is CC(CO)c1cccc2c1ccn2CC1CCCC1.
What is the InChIKey of 2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol?
The InChIKey is JALJIABJMLGNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c1-13(12-19)15-7-4-8-17-16(15)9-10-18(17)11-14-5-2-3-6-14/h4,7-10,13-14,19H,2-3,5-6,11-12H2,1H3.
What are the key properties of 2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol?
2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol has a molecular weight of 257.38 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(cyclopentylmethyl)indol-4-yl]propan-1-ol is sourced from PubChem (CID 117118984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).