1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one

C12H21NO — CID 130233518

IUPAC1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one
SMILESCC1(C)CCC(N2CCCC2=O)CC1
InChIInChI=1S/C12H21NO/c1-12(2)7-5-10(6-8-12)13-9-3-4-11(13)14/h10H,3-9H2,1-2H3
InChIKeyBIVUAMDGDPDWBH-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.58
Rot. Bonds1

About 1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one

1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one (PubChem CID 130233518) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one
PubChem CID130233518
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one
SMILESCC1(C)CCC(N2CCCC2=O)CC1
InChIInChI=1S/C12H21NO/c1-12(2)7-5-10(6-8-12)13-9-3-4-11(13)14/h10H,3-9H2,1-2H3
InChIKeyBIVUAMDGDPDWBH-UHFFFAOYSA-N
XLogP2.58
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-cyclodecylpyrrolidin-2-one
CID 138507623
azane;1-cyclohexylpyrrolidin-2-one
CID 172723863
2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11789283
(8aR)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 11051727
(10aS)-2,3,6,7,8,9,10,10a-octahydro-1H-pyrrolo[1,2-a]azocin-5-one
CID 86313694
1-azabicyclo[5.5.0]dodecan-2-one
CID 11063030
ethane;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 156829951
1-(4,4-dimethylcyclohexyl)piperazin-2-one;hydrochloride
CID 67112219
4-methyl-4-piperidin-1-yl-1-propan-2-ylpiperidine;1-(1-propan-2-ylpiperidin-4-yl)pyrrolidin-2-one
CID 158127620
1-(4-acetylcyclohexyl)piperidin-2-one
CID 58664390
1-[(3S)-1-tert-butylpiperidin-3-yl]pyrrolidin-2-one
CID 166007971
5,5-dimethyl-1-(1-methylpiperidin-4-yl)piperidin-2-one
CID 158347597

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one (CID 130233518) is 1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one is CC1(C)CCC(N2CCCC2=O)CC1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one?
The InChIKey is BIVUAMDGDPDWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(2)7-5-10(6-8-12)13-9-3-4-11(13)14/h10H,3-9H2,1-2H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one?
1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)pyrrolidin-2-one is sourced from PubChem (CID 130233518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).