2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-one

C15H27NO — CID 79056853

IUPAC2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCC1CCC(C(=O)C(C)(C)N2CCCC2)CC1
InChIInChI=1S/C15H27NO/c1-12-6-8-13(9-7-12)14(17)15(2,3)16-10-4-5-11-16/h12-13H,4-11H2,1-3H3
InChIKeyLSXUZLSNSTYVQH-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.26
Rot. Bonds3

About 2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-one

2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-one (PubChem CID 79056853) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-one
PubChem CID79056853
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-one
SMILESCC1CCC(C(=O)C(C)(C)N2CCCC2)CC1
InChIInChI=1S/C15H27NO/c1-12-6-8-13(9-7-12)14(17)15(2,3)16-10-4-5-11-16/h12-13H,4-11H2,1-3H3
InChIKeyLSXUZLSNSTYVQH-UHFFFAOYSA-N
XLogP3.26
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-2-methyl-2-pyrrolidin-1-ylpropan-1-one
CID 79056596
2-(azepan-1-yl)-1-cycloheptyl-2-methylpropan-1-one
CID 82931395
1-(3,4-dimethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 79045904
2-methyl-1-(oxan-4-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 79056188
1-(4-ethylcyclohexyl)-2-methyl-2-piperidin-1-ylpropan-1-one
CID 79045000
1-cyclohexyl-2-methyl-2-piperazin-1-ylpropan-1-one
CID 116599107
2-methyl-1-(oxan-3-yl)-2-pyrrolidin-1-ylpropan-1-one
CID 107135922
2-(azepan-1-yl)-2-methyl-1-(oxolan-3-yl)propan-1-one
CID 79052397
3-amino-2,2,3-trimethyl-1-(4-methylcyclohexyl)butan-1-one
CID 116573747
1-cyclopropyl-2-ethyl-2-pyrrolidin-1-ylbutan-1-one
CID 79067804
2-methyl-2-pyrrolidin-1-ylpropanoic acid
CID 22311931
2,2,4-trimethyl-4-pyrrolidin-1-ylpentan-3-one
CID 79056343

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-one (CID 79056853) is 2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-one is CC1CCC(C(=O)C(C)(C)N2CCCC2)CC1.
What is the InChIKey of 2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-one?
The InChIKey is LSXUZLSNSTYVQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-12-6-8-13(9-7-12)14(17)15(2,3)16-10-4-5-11-16/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-one?
2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-one has a molecular weight of 237.39 g/mol, XLogP of 3.26, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-methylcyclohexyl)-2-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 79056853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).