1-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide

C12H20N2O2 — CID 12003156

IUPAC1-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide
SMILESCC1(C(=O)N[C@H]2CCNC2=O)CCCCC1
InChIInChI=1S/C12H20N2O2/c1-12(6-3-2-4-7-12)11(16)14-9-5-8-13-10(9)15/h9H,2-8H2,1H3,(H,13,15)(H,14,16)/t9-/m0/s1
InChIKeyCBYDZYDVJBRSJX-VIFPVBQESA-N
MW224.30 g/mol
LogP0.96
Rot. Bonds2

About 1-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide

1-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide (PubChem CID 12003156) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide
PubChem CID12003156
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide
SMILESCC1(C(=O)N[C@H]2CCNC2=O)CCCCC1
InChIInChI=1S/C12H20N2O2/c1-12(6-3-2-4-7-12)11(16)14-9-5-8-13-10(9)15/h9H,2-8H2,1H3,(H,13,15)(H,14,16)/t9-/m0/s1
InChIKeyCBYDZYDVJBRSJX-VIFPVBQESA-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

1-methyl-N-[(3S)-2-oxoazepan-3-yl]cyclohexane-1-carboxamide
CID 11651747
(2S)-N-(cyclohexylmethyl)-1-ethyl-5-oxopyrrolidine-2-carboxamide
CID 49864916
(2S)-2-(4-methyl-2-oxo-4-propylpyrrolidin-1-yl)butanamide
CID 9813318
2-(4-Butyl-2-oxopyrrolidin-1-yl)butanamide
CID 9855989
2-(2-Oxo-4-pentylpyrrolidin-1-yl)butanamide
CID 9856179
(2S)-2-[4-(2,2-dimethylpropyl)-2-oxopyrrolidin-1-yl]butanamide
CID 9942834
Proline scaffold, 9
CID 42618107
Proline scaffold, 10
CID 42618108
Proline scaffold, 29
CID 42618126
Proline scaffold, 30
CID 42618127
Proline scaffold, 33
CID 42618130
N-(1-{[(1-ethylpyrrolidin-2-yl)methyl]amino}-3-methyl-1-oxobutan-2-yl)-4-methylcyclohexanecarboxamide
CID 3240291

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide?
The IUPAC name of 1-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide (CID 12003156) is 1-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide is CC1(C(=O)N[C@H]2CCNC2=O)CCCCC1.
What is the InChIKey of 1-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide?
The InChIKey is CBYDZYDVJBRSJX-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(6-3-2-4-7-12)11(16)14-9-5-8-13-10(9)15/h9H,2-8H2,1H3,(H,13,15)(H,14,16)/t9-/m0/s1.
What are the key properties of 1-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide?
1-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]cyclohexane-1-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 1-methyl-N-[(3S)-2-oxopyrrolidin-3-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 12003156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).