1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide

C14H24N2O2 — CID 53016013

IUPAC1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1CC(=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
InChIKeyYPVIQTXIBDBMTO-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.65
Rot. Bonds2

About 1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide

1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 53016013) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
PubChem CID53016013
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide
SMILESCN(C)C(=O)C1CC(=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
InChIKeyYPVIQTXIBDBMTO-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide (CID 53016013) is 1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide is CN(C)C(=O)C1CC(=O)N(C2CCCCCC2)C1.
What is the InChIKey of 1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is YPVIQTXIBDBMTO-UHFFFAOYSA-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.
What are the key properties of 1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide?
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 1-cycloheptyl-N,N-dimethyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 53016013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).