1-methyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide

C12H20N2O2 — CID 164636959

IUPAC1-methyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide
SMILESCN1C[C@@H](NC(=O)C2(C)CCCC2)CC1=O
InChIInChI=1S/C12H20N2O2/c1-12(5-3-4-6-12)11(16)13-9-7-10(15)14(2)8-9/h9H,3-8H2,1-2H3,(H,13,16)/t9-/m0/s1
InChIKeyCUOAEKHVUVPMPF-VIFPVBQESA-N
MW224.30 g/mol
LogP0.91
Rot. Bonds2

About 1-methyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide

1-methyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide (PubChem CID 164636959) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-methyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide
PubChem CID164636959
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-methyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide
SMILESCN1C[C@@H](NC(=O)C2(C)CCCC2)CC1=O
InChIInChI=1S/C12H20N2O2/c1-12(5-3-4-6-12)11(16)13-9-7-10(15)14(2)8-9/h9H,3-8H2,1-2H3,(H,13,16)/t9-/m0/s1
InChIKeyCUOAEKHVUVPMPF-VIFPVBQESA-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-methyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide?
The IUPAC name of 1-methyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide (CID 164636959) is 1-methyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide is CN1C[C@@H](NC(=O)C2(C)CCCC2)CC1=O.
What is the InChIKey of 1-methyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide?
The InChIKey is CUOAEKHVUVPMPF-VIFPVBQESA-N. The full InChI is InChI=1S/C12H20N2O2/c1-12(5-3-4-6-12)11(16)13-9-7-10(15)14(2)8-9/h9H,3-8H2,1-2H3,(H,13,16)/t9-/m0/s1.
What are the key properties of 1-methyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide?
1-methyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]cyclopentane-1-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-methyl-N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]cyclopentane-1-carboxamide is sourced from PubChem (CID 164636959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).