N,N-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-2-carboxamide

C13H22N2O2 — CID 114762051

IUPACN,N-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C1CCC(=O)CC1
InChIInChI=1S/C13H22N2O2/c1-14(2)13(17)12-4-3-9-15(12)10-5-7-11(16)8-6-10/h10,12H,3-9H2,1-2H3
InChIKeyJWTUQBOQRXUBTL-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.05
Rot. Bonds2

About N,N-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-2-carboxamide

N,N-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-2-carboxamide (PubChem CID 114762051) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N,N-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-2-carboxamide
PubChem CID114762051
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN,N-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-2-carboxamide
SMILESCN(C)C(=O)C1CCCN1C1CCC(=O)CC1
InChIInChI=1S/C13H22N2O2/c1-14(2)13(17)12-4-3-9-15(12)10-5-7-11(16)8-6-10/h10,12H,3-9H2,1-2H3
InChIKeyJWTUQBOQRXUBTL-UHFFFAOYSA-N
XLogP1.05
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-2-carboxamide?
The IUPAC name of N,N-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-2-carboxamide (CID 114762051) is N,N-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N,N-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-2-carboxamide is CN(C)C(=O)C1CCCN1C1CCC(=O)CC1.
What is the InChIKey of N,N-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-2-carboxamide?
The InChIKey is JWTUQBOQRXUBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-14(2)13(17)12-4-3-9-15(12)10-5-7-11(16)8-6-10/h10,12H,3-9H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-2-carboxamide?
N,N-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-2-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 114762051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).