1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one

C14H25NO — CID 61063339

IUPAC1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C14H25NO/c1-11(2)14(16)15-10-6-9-13(15)12-7-4-3-5-8-12/h11-13H,3-10H2,1-2H3
InChIKeyLHKLUJHZTNMMLF-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.21
Rot. Bonds2

About 1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one

1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one (PubChem CID 61063339) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one
PubChem CID61063339
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C14H25NO/c1-11(2)14(16)15-10-6-9-13(15)12-7-4-3-5-8-12/h11-13H,3-10H2,1-2H3
InChIKeyLHKLUJHZTNMMLF-UHFFFAOYSA-N
XLogP3.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2-methyl-3-oxopropanoic acid
CID 114897399
(2S)-2-amino-1-(2-cyclopentylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 119300932
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-sulfanylpropan-1-one
CID 107031197
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-chloro-2-methylpropan-1-one
CID 65318934
1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-2,2-difluoroethanone
CID 103515401
(2S)-1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-3-methylbutan-1-one
CID 65320801
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
(2S,3S)-1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-amino-3-methylpentan-1-one
CID 102726137
2-amino-1-(2-cyclopropylpyrrolidin-1-yl)propan-1-one;hydrochloride
CID 130978633
3-(2-cyclopentylpyrrolidin-1-yl)-N'-hydroxy-2-methyl-3-oxopropanimidamide
CID 76927561
N,N-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 115575763
(2R)-1-[(2S)-2-cyclopentylpyrrolidin-1-yl]-2-(cyclopropylmethoxy)propan-1-one
CID 99579305

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one?
The IUPAC name of 1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one (CID 61063339) is 1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one.
What is the SMILES notation for 1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one?
The canonical SMILES for 1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one is CC(C)C(=O)N1CCCC1C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one?
The InChIKey is LHKLUJHZTNMMLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)14(16)15-10-6-9-13(15)12-7-4-3-5-8-12/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one?
1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one has a molecular weight of 223.36 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one is sourced from PubChem (CID 61063339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).