N,3-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-3-carboxamide

C13H22N2O2 — CID 106322709

IUPACN,3-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C2CCC(=O)CC2)C1
InChIInChI=1S/C13H22N2O2/c1-13(12(17)14-2)7-8-15(9-13)10-3-5-11(16)6-4-10/h10H,3-9H2,1-2H3,(H,14,17)
InChIKeyBVIMDPLEUQNMME-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.96
Rot. Bonds2

About N,3-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-3-carboxamide

N,3-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-3-carboxamide (PubChem CID 106322709) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is N,3-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-3-carboxamide
PubChem CID106322709
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC NameN,3-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C2CCC(=O)CC2)C1
InChIInChI=1S/C13H22N2O2/c1-13(12(17)14-2)7-8-15(9-13)10-3-5-11(16)6-4-10/h10H,3-9H2,1-2H3,(H,14,17)
InChIKeyBVIMDPLEUQNMME-UHFFFAOYSA-N
XLogP0.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-3-carboxamide?
The IUPAC name of N,3-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-3-carboxamide (CID 106322709) is N,3-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N,3-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N,3-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C2CCC(=O)CC2)C1.
What is the InChIKey of N,3-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-3-carboxamide?
The InChIKey is BVIMDPLEUQNMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-13(12(17)14-2)7-8-15(9-13)10-3-5-11(16)6-4-10/h10H,3-9H2,1-2H3,(H,14,17).
What are the key properties of N,3-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-3-carboxamide?
N,3-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-3-carboxamide has a molecular weight of 238.33 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-1-(4-oxocyclohexyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 106322709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).