1-[1-(2-methylpropyl)cyclopentyl]-2-pyridin-3-ylethanone

C16H23NO — CID 115799062

IUPAC1-[1-(2-methylpropyl)cyclopentyl]-2-pyridin-3-ylethanone
SMILESCC(C)CC1(C(=O)Cc2cccnc2)CCCC1
InChIInChI=1S/C16H23NO/c1-13(2)11-16(7-3-4-8-16)15(18)10-14-6-5-9-17-12-14/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3
InChIKeyJKLGDJARHGIHLR-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.80
Rot. Bonds5

About 1-[1-(2-methylpropyl)cyclopentyl]-2-pyridin-3-ylethanone

1-[1-(2-methylpropyl)cyclopentyl]-2-pyridin-3-ylethanone (PubChem CID 115799062) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)cyclopentyl]-2-pyridin-3-ylethanone.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)cyclopentyl]-2-pyridin-3-ylethanone
PubChem CID115799062
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name1-[1-(2-methylpropyl)cyclopentyl]-2-pyridin-3-ylethanone
SMILESCC(C)CC1(C(=O)Cc2cccnc2)CCCC1
InChIInChI=1S/C16H23NO/c1-13(2)11-16(7-3-4-8-16)15(18)10-14-6-5-9-17-12-14/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3
InChIKeyJKLGDJARHGIHLR-UHFFFAOYSA-N
XLogP3.80
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methoxycycloheptyl)-2-pyridin-3-ylethanone
CID 116750546
4-methyl-1-pyridin-3-ylpentan-2-one
CID 12999593
1-[4-(aminomethyl)oxan-4-yl]-2-pyridin-3-ylethanone
CID 116603133
1-[[(2-pyridin-3-ylacetyl)amino]methyl]cyclohexane-1-carboxylic acid
CID 115435809
2-pyridin-3-ylacetyl chloride
CID 14697475
1-propan-2-ylsulfanyl-3-pyridin-3-ylpropan-2-one
CID 104735960
9-propan-2-yl-1-(2-pyridin-3-ylacetyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627495
2-methylpropyl 2-[(2-pyridin-3-ylacetyl)amino]propanoate
CID 22492127
1-[2-[methyl(pyridin-3-ylmethyl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43563437
N-(1-hydroxypropan-2-yl)-2-pyridin-3-ylacetamide
CID 62691061
CID 66868100
CID 66868100
3-ethyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 63131429

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)cyclopentyl]-2-pyridin-3-ylethanone?
The IUPAC name of 1-[1-(2-methylpropyl)cyclopentyl]-2-pyridin-3-ylethanone (CID 115799062) is 1-[1-(2-methylpropyl)cyclopentyl]-2-pyridin-3-ylethanone.
What is the SMILES notation for 1-[1-(2-methylpropyl)cyclopentyl]-2-pyridin-3-ylethanone?
The canonical SMILES for 1-[1-(2-methylpropyl)cyclopentyl]-2-pyridin-3-ylethanone is CC(C)CC1(C(=O)Cc2cccnc2)CCCC1.
What is the InChIKey of 1-[1-(2-methylpropyl)cyclopentyl]-2-pyridin-3-ylethanone?
The InChIKey is JKLGDJARHGIHLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-13(2)11-16(7-3-4-8-16)15(18)10-14-6-5-9-17-12-14/h5-6,9,12-13H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of 1-[1-(2-methylpropyl)cyclopentyl]-2-pyridin-3-ylethanone?
1-[1-(2-methylpropyl)cyclopentyl]-2-pyridin-3-ylethanone has a molecular weight of 245.37 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)cyclopentyl]-2-pyridin-3-ylethanone is sourced from PubChem (CID 115799062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).