1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one

C17H21NO — CID 115107167

IUPAC1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one
SMILESCC(=O)Cc1cn(CC2CCCC2)c2ccccc12
InChIInChI=1S/C17H21NO/c1-13(19)10-15-12-18(11-14-6-2-3-7-14)17-9-5-4-8-16(15)17/h4-5,8-9,12,14H,2-3,6-7,10-11H2,1H3
InChIKeyFYGQHQHHIKQCIU-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.96
Rot. Bonds4

About 1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one

1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one (PubChem CID 115107167) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one.

Molecular Properties

Compound Name1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one
PubChem CID115107167
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one
SMILESCC(=O)Cc1cn(CC2CCCC2)c2ccccc12
InChIInChI=1S/C17H21NO/c1-13(19)10-15-12-18(11-14-6-2-3-7-14)17-9-5-4-8-16(15)17/h4-5,8-9,12,14H,2-3,6-7,10-11H2,1H3
InChIKeyFYGQHQHHIKQCIU-UHFFFAOYSA-N
XLogP3.96
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(cyclobutylmethyl)indol-4-yl]propan-2-one
CID 115106908
4-[1-(cyclobutylmethyl)indol-3-yl]butanoic acid
CID 65458314
2-[1-[(1-methylpiperidin-4-yl)methyl]indol-3-yl]acetamide
CID 67239924
3-[1-(cyclopropylmethyl)indol-3-yl]propanoic acid
CID 63937608
1-[1-(cyclopentylmethyl)indol-3-yl]-N-methylpropan-2-amine
CID 115107196
methyl 1-(cyclohexylmethyl)indole-3-carboxylate
CID 124518894
1-(4-aminocyclohexyl)-4-[1-(cyclohexylmethyl)indol-3-yl]butan-2-one;hydrochloride
CID 162116795
2-[1-(cyclobutylmethyl)indol-3-yl]propan-2-ol
CID 117118920
1-[1-(cyclohexylmethyl)indol-3-yl]-6-piperidin-4-ylhexan-3-one;hydrochloride
CID 162111790
1-(cyclopentylmethyl)-N-(2-phenylpropan-2-yl)indole-3-carboxamide
CID 167312296
N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-methyl-1-piperidin-4-ylmethanamine;hydrochloride
CID 162459944
N-[[1-(cyclohexylmethyl)indol-3-yl]methyl]-N-[(1-methylpiperidin-4-yl)methyl]ethanamine
CID 142579605

Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one?
The IUPAC name of 1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one (CID 115107167) is 1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one.
What is the SMILES notation for 1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one?
The canonical SMILES for 1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one is CC(=O)Cc1cn(CC2CCCC2)c2ccccc12.
What is the InChIKey of 1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one?
The InChIKey is FYGQHQHHIKQCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-13(19)10-15-12-18(11-14-6-2-3-7-14)17-9-5-4-8-16(15)17/h4-5,8-9,12,14H,2-3,6-7,10-11H2,1H3.
What are the key properties of 1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one?
1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one has a molecular weight of 255.36 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopentylmethyl)indol-3-yl]propan-2-one is sourced from PubChem (CID 115107167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).