5-[(3-methylcyclohexyl)methyl]pyrrolidin-2-one

C12H21NO — CID 104687080

IUPAC5-[(3-methylcyclohexyl)methyl]pyrrolidin-2-one
SMILESCC1CCCC(CC2CCC(=O)N2)C1
InChIInChI=1S/C12H21NO/c1-9-3-2-4-10(7-9)8-11-5-6-12(14)13-11/h9-11H,2-8H2,1H3,(H,13,14)
InChIKeySOIHPFBXJHQXNS-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.48
Rot. Bonds2

About 5-[(3-methylcyclohexyl)methyl]pyrrolidin-2-one

5-[(3-methylcyclohexyl)methyl]pyrrolidin-2-one (PubChem CID 104687080) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 5-[(3-methylcyclohexyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(3-methylcyclohexyl)methyl]pyrrolidin-2-one
PubChem CID104687080
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name5-[(3-methylcyclohexyl)methyl]pyrrolidin-2-one
SMILESCC1CCCC(CC2CCC(=O)N2)C1
InChIInChI=1S/C12H21NO/c1-9-3-2-4-10(7-9)8-11-5-6-12(14)13-11/h9-11H,2-8H2,1H3,(H,13,14)
InChIKeySOIHPFBXJHQXNS-UHFFFAOYSA-N
XLogP2.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Cyclohexanecarboxamide, N-ethyl-5-methyl-2-(1-methylethyl)-
CID 62907
2-Azaspiro(4.5)decan-3-one
CID 47457
N,3-dicyclohexylpropanamide
CID 759108
N,2-dicyclohexylacetamide
CID 880907
N-butylcyclohexanecarboxamide
CID 3544722
rel-(3aR,7aR)-Octahydro-2H-indol-2-one
CID 10887991
N-cyclohexyl-3-cyclopentylpropanamide
CID 835664
rac-(3aR,7aR)-octahydro-1H-indol-2-one
CID 11309551
2-Azaspiro(4.5)decan-1-one
CID 25067265
2-cyclohexyl-N-cyclopentylacetamide
CID 2285482
Ethyl menthane carboxamide, (1R,3R,4S)-
CID 7168187
3-Dodecylpyrrolidin-2-one
CID 21881336

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylcyclohexyl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(3-methylcyclohexyl)methyl]pyrrolidin-2-one (CID 104687080) is 5-[(3-methylcyclohexyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(3-methylcyclohexyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(3-methylcyclohexyl)methyl]pyrrolidin-2-one is CC1CCCC(CC2CCC(=O)N2)C1.
What is the InChIKey of 5-[(3-methylcyclohexyl)methyl]pyrrolidin-2-one?
The InChIKey is SOIHPFBXJHQXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-9-3-2-4-10(7-9)8-11-5-6-12(14)13-11/h9-11H,2-8H2,1H3,(H,13,14).
What are the key properties of 5-[(3-methylcyclohexyl)methyl]pyrrolidin-2-one?
5-[(3-methylcyclohexyl)methyl]pyrrolidin-2-one has a molecular weight of 195.31 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylcyclohexyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104687080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).