1-cycloheptyl-3-methylpyrrolidin-2-one

C12H21NO — CID 91284364

IUPAC1-cycloheptyl-3-methylpyrrolidin-2-one
SMILESCC1CCN(C2CCCCCC2)C1=O
InChIInChI=1S/C12H21NO/c1-10-8-9-13(12(10)14)11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3
InChIKeyYWARPCIRKPCGHX-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.58
Rot. Bonds1

About 1-cycloheptyl-3-methylpyrrolidin-2-one

1-cycloheptyl-3-methylpyrrolidin-2-one (PubChem CID 91284364) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-cycloheptyl-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name1-cycloheptyl-3-methylpyrrolidin-2-one
PubChem CID91284364
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-cycloheptyl-3-methylpyrrolidin-2-one
SMILESCC1CCN(C2CCCCCC2)C1=O
InChIInChI=1S/C12H21NO/c1-10-8-9-13(12(10)14)11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3
InChIKeyYWARPCIRKPCGHX-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

(3S)-1-cyclohexyl-3-methylpyrrolidin-2-one
CID 143051215
3-methyl-1-(1-methylpiperidin-3-yl)pyrrolidin-2-one
CID 67986237
1-(3-bromocyclohexyl)-3-methylpyrrolidin-2-one
CID 174389120
(3S)-3-bromo-1-cyclohexylpyrrolidin-2-one
CID 124508773
1-cycloheptyl-5-methyl-3-(methylamino)azepan-2-one
CID 22984792
1-cycloheptyl-4-methyl-3-(methylamino)azepan-2-one
CID 22984790
3-propan-2-yl-2,3,6,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-4-one
CID 22972607
7-tert-butyl-2,3,4,7,8,9,10,10a-octahydro-1H-pyrido[1,2-a]azepin-6-one
CID 22972720
1-cycloheptyl-3-hydroxypiperidin-2-one
CID 117014090
3-bromo-1-cyclobutylpyrrolidin-2-one
CID 63788586
(3R)-3-amino-1-cyclobutylpyrrolidin-2-one
CID 94423916
3-cyclohexyl-5-methylimidazolidin-4-one
CID 83242864

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-3-methylpyrrolidin-2-one?
The IUPAC name of 1-cycloheptyl-3-methylpyrrolidin-2-one (CID 91284364) is 1-cycloheptyl-3-methylpyrrolidin-2-one.
What is the SMILES notation for 1-cycloheptyl-3-methylpyrrolidin-2-one?
The canonical SMILES for 1-cycloheptyl-3-methylpyrrolidin-2-one is CC1CCN(C2CCCCCC2)C1=O.
What is the InChIKey of 1-cycloheptyl-3-methylpyrrolidin-2-one?
The InChIKey is YWARPCIRKPCGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-10-8-9-13(12(10)14)11-6-4-2-3-5-7-11/h10-11H,2-9H2,1H3.
What are the key properties of 1-cycloheptyl-3-methylpyrrolidin-2-one?
1-cycloheptyl-3-methylpyrrolidin-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-cycloheptyl-3-methylpyrrolidin-2-one is sourced from PubChem (CID 91284364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).