1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide

C12H20N2O2 — CID 17257396

IUPAC1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C12H20N2O2/c1-13-12(16)9-7-11(15)14(8-9)10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,13,16)
InChIKeyIHENPPCPWNOILK-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.91
Rot. Bonds2

About 1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide

1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 17257396) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID17257396
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCNC(=O)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C12H20N2O2/c1-13-12(16)9-7-11(15)14(8-9)10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,13,16)
InChIKeyIHENPPCPWNOILK-UHFFFAOYSA-N
XLogP0.91
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 17257396) is 1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide is CNC(=O)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is IHENPPCPWNOILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-13-12(16)9-7-11(15)14(8-9)10-5-3-2-4-6-10/h9-10H,2-8H2,1H3,(H,13,16).
What are the key properties of 1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide?
1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17257396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).