(3S)-1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide

C14H24N2O2 — CID 95051542

IUPAC(3S)-1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)C(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C14H24N2O2/c1-15(2)14(18)11-9-13(17)16(10-11)12-7-5-3-4-6-8-12/h11-12H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyYPVIQTXIBDBMTO-NSHDSACASA-N
MW252.36 g/mol
LogP1.65
Rot. Bonds2

About (3S)-1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide

(3S)-1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 95051542) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is (3S)-1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID95051542
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name(3S)-1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)C(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1
InChIInChI=1S/C14H24N2O2/c1-15(2)14(18)11-9-13(17)16(10-11)12-7-5-3-4-6-8-12/h11-12H,3-10H2,1-2H3/t11-/m0/s1
InChIKeyYPVIQTXIBDBMTO-NSHDSACASA-N
XLogP1.65
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-cycloheptyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 3660064
N-cycloheptyl-1-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 6624423
1-cyclopentyl-N~3~,N~3~-dimethyl-5-oxo-3-pyrrolidinecarboxamide
CID 17081370
4-(Azepane-1-carbonyl)-1-cyclohexylpyrrolidin-2-one
CID 17257422
1-Butyl-4-[(2-ethylpiperidyl)carbonyl]pyrrolidin-2-one
CID 17082528
1-cyclopentyl-N-methyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 78843832
(3S)-N-cyclopropyl-5-oxo-1-propan-2-yl-N-propylpyrrolidine-3-carboxamide
CID 97185516
(3S)-N-methyl-5-oxo-N,1-di(propan-2-yl)pyrrolidine-3-carboxamide
CID 97853516
1-cycloheptyl-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 3385814
1-cycloheptyl-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 3663589
1-cycloheptyl-N-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 3663591
1-cycloheptyl-N-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 4284314

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide (CID 95051542) is (3S)-1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide is CN(C)C(=O)[C@H]1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of (3S)-1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YPVIQTXIBDBMTO-NSHDSACASA-N. The full InChI is InChI=1S/C14H24N2O2/c1-15(2)14(18)11-9-13(17)16(10-11)12-7-5-3-4-6-8-12/h11-12H,3-10H2,1-2H3/t11-/m0/s1.
What are the key properties of (3S)-1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide?
(3S)-1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 252.36 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95051542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).