1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one

C15H27NO — CID 64593206

IUPAC1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C15H27NO/c1-15(2,3)14(17)16-11-7-10-13(16)12-8-5-4-6-9-12/h12-13H,4-11H2,1-3H3
InChIKeyLSEIFVFKDMPGLE-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.60
Rot. Bonds1

About 1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one

1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one (PubChem CID 64593206) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
PubChem CID64593206
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCCC1C1CCCCC1
InChIInChI=1S/C15H27NO/c1-15(2,3)14(17)16-11-7-10-13(16)12-8-5-4-6-9-12/h12-13H,4-11H2,1-3H3
InChIKeyLSEIFVFKDMPGLE-UHFFFAOYSA-N
XLogP3.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-dimethyl-1-(2-piperidin-3-ylpyrrolidin-1-yl)propan-1-one
CID 60978516
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-bromo-2-methylpropan-1-one
CID 114328811
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-3-chloro-2,2-dimethylpropan-1-one
CID 102725644
3-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2,2-dimethyl-3-oxopropanenitrile
CID 102726312
1-[(8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]ethanone
CID 68573047
1-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-2-amino-2-methylbutan-1-one
CID 79810919
1-(2-cyclohexylpyrrolidin-1-yl)-2-methylpropan-1-one
CID 61063339
tert-butyl 2-cyclohexylpiperidine-1-carboxylate
CID 164666573
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carbonyl]-2-methylbutanethioamide
CID 102726414
1-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-methyl-2-piperidin-3-ylpropan-1-one
CID 102726190
N,N-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 115575763
2-amino-1-(2-cyclohexylpyrrolidin-1-yl)ethanone
CID 60946954

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one?
The IUPAC name of 1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one (CID 64593206) is 1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCCC1C1CCCCC1.
What is the InChIKey of 1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one?
The InChIKey is LSEIFVFKDMPGLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-15(2,3)14(17)16-11-7-10-13(16)12-8-5-4-6-9-12/h12-13H,4-11H2,1-3H3.
What are the key properties of 1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one?
1-(2-cyclohexylpyrrolidin-1-yl)-2,2-dimethylpropan-1-one has a molecular weight of 237.39 g/mol, XLogP of 3.60, 1 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)-2,2-dimethylpropan-1-one is sourced from PubChem (CID 64593206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).