(2R)-N-[(1S,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-2-carboxamide

C12H20N2O2 — CID 124606024

IUPAC(2R)-N-[(1S,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-2-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C12H20N2O2/c1-8-4-2-3-5-9(8)14-12(16)10-6-7-11(15)13-10/h8-10H,2-7H2,1H3,(H,13,15)(H,14,16)/t8-,9+,10-/m1/s1
InChIKeyKAKUMUIZLXMOAJ-KXUCPTDWSA-N
MW224.30 g/mol
LogP0.96
Rot. Bonds2

About (2R)-N-[(1S,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-2-carboxamide

(2R)-N-[(1S,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-2-carboxamide (PubChem CID 124606024) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is (2R)-N-[(1S,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[(1S,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-2-carboxamide
PubChem CID124606024
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name(2R)-N-[(1S,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-2-carboxamide
SMILESC[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC(=O)N1
InChIInChI=1S/C12H20N2O2/c1-8-4-2-3-5-9(8)14-12(16)10-6-7-11(15)13-10/h8-10H,2-7H2,1H3,(H,13,15)(H,14,16)/t8-,9+,10-/m1/s1
InChIKeyKAKUMUIZLXMOAJ-KXUCPTDWSA-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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Related Compounds

N-(2-methylpiperidin-3-yl)-5-oxopyrrolidine-2-carboxamide
CID 114695087
(2R)-N-(4-methylcyclohexyl)-5-oxopyrrolidine-2-carboxamide
CID 127296472
(2R)-N-(2-bicyclo[2.2.1]heptanyl)-5-oxopyrrolidine-2-carboxamide
CID 126806435
N-(2-methylcyclohexyl)azepane-2-carboxamide
CID 64564160
N-[4-(methylamino)cyclohexyl]-5-oxopyrrolidine-2-carboxamide
CID 79110439
(2S)-5-oxo-N-propan-2-ylpyrrolidine-2-carboxamide
CID 11105798
N-(2-methylcyclopentyl)pyrrolidine-2-carboxamide
CID 63281892
6-methyl-N-(2-methylcyclopentyl)piperidine-2-carboxamide
CID 63281805
N-(2-methylcyclohexyl)-1,3-thiazolidine-4-carboxamide
CID 24704493
2-methyl-N-(2-methylcyclohexyl)cyclopropane-1-carboxamide
CID 4084655
(2R)-N-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-5-oxopyrrolidine-2-carboxamide
CID 124606026
(2S)-N-methyl-5-oxopyrrolidine-2-carboxamide;molecular hydrogen
CID 159147898

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[(1S,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-2-carboxamide (CID 124606024) is (2R)-N-[(1S,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[(1S,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[(1S,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-2-carboxamide is C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCC(=O)N1.
What is the InChIKey of (2R)-N-[(1S,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-2-carboxamide?
The InChIKey is KAKUMUIZLXMOAJ-KXUCPTDWSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8-4-2-3-5-9(8)14-12(16)10-6-7-11(15)13-10/h8-10H,2-7H2,1H3,(H,13,15)(H,14,16)/t8-,9+,10-/m1/s1.
What are the key properties of (2R)-N-[(1S,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-2-carboxamide?
(2R)-N-[(1S,2R)-2-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-[(1S,2R)-2-methylcyclohexyl]-5-oxopyrrolidine-2-carboxamide is sourced from PubChem (CID 124606024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).