(2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide

C12H20N2O2 — CID 127296472

IUPAC(2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC1CCC(NC(=O)[C@H]2CCC(=O)N2)CC1
InChIInChI=1S/C12H20N2O2/c1-8-2-4-9(5-3-8)13-12(16)10-6-7-11(15)14-10/h8-10H,2-7H2,1H3,(H,13,16)(H,14,15)/t8?,9?,10-/m1/s1
InChIKeyNRLCVTLBAFESTO-UDNWOFFPSA-N
MW224.30 g/mol
LogP0.96
Rot. Bonds2

About (2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide

(2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide (PubChem CID 127296472) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide
PubChem CID127296472
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide
SMILESCC1CCC(NC(=O)[C@H]2CCC(=O)N2)CC1
InChIInChI=1S/C12H20N2O2/c1-8-2-4-9(5-3-8)13-12(16)10-6-7-11(15)14-10/h8-10H,2-7H2,1H3,(H,13,16)(H,14,15)/t8?,9?,10-/m1/s1
InChIKeyNRLCVTLBAFESTO-UDNWOFFPSA-N
XLogP0.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide (CID 127296472) is (2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide is CC1CCC(NC(=O)[C@H]2CCC(=O)N2)CC1.
What is the InChIKey of (2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide?
The InChIKey is NRLCVTLBAFESTO-UDNWOFFPSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8-2-4-9(5-3-8)13-12(16)10-6-7-11(15)14-10/h8-10H,2-7H2,1H3,(H,13,16)(H,14,15)/t8?,9?,10-/m1/s1.
What are the key properties of (2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide?
(2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide has a molecular weight of 224.30 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 127296472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).