(3R,4S)-3-cyclopropyl-4-methyl-2-oxopyrrolidine-3-carbonitrile

C9H12N2O — CID 155905032

IUPAC(3R,4S)-3-cyclopropyl-4-methyl-2-oxopyrrolidine-3-carbonitrile
SMILESC[C@@H]1CNC(=O)[C@]1(C#N)C1CC1
InChIInChI=1S/C9H12N2O/c1-6-4-11-8(12)9(6,5-10)7-2-3-7/h6-7H,2-4H2,1H3,(H,11,12)/t6-,9+/m1/s1
InChIKeyDQVJCDONHAWZSR-MUWHJKNJSA-N
MW164.21 g/mol
LogP0.67
Rot. Bonds1

About (3R,4S)-3-cyclopropyl-4-methyl-2-oxopyrrolidine-3-carbonitrile

(3R,4S)-3-cyclopropyl-4-methyl-2-oxopyrrolidine-3-carbonitrile (PubChem CID 155905032) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (3R,4S)-3-cyclopropyl-4-methyl-2-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(3R,4S)-3-cyclopropyl-4-methyl-2-oxopyrrolidine-3-carbonitrile
PubChem CID155905032
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(3R,4S)-3-cyclopropyl-4-methyl-2-oxopyrrolidine-3-carbonitrile
SMILESC[C@@H]1CNC(=O)[C@]1(C#N)C1CC1
InChIInChI=1S/C9H12N2O/c1-6-4-11-8(12)9(6,5-10)7-2-3-7/h6-7H,2-4H2,1H3,(H,11,12)/t6-,9+/m1/s1
InChIKeyDQVJCDONHAWZSR-MUWHJKNJSA-N
XLogP0.67
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-cyclopropyl-4-ethyl-2-oxopyrrolidine-3-carbonitrile
CID 91618811
(3S,4R)-3-cyclopropyl-4-ethyl-2-oxopyrrolidine-3-carbonitrile
CID 155904583
3,3-dichloro-4-methylpyrrolidin-2-one
CID 15408499
3,3-difluoro-4-methylpyrrolidin-2-one;ethane
CID 162680874
(3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one
CID 175917737
ethene;3-hydroxy-3,4-dimethylpyrrolidin-2-one
CID 144543085
(3R)-3-cyclopropyl-5-ethyl-2-oxopyrrolidine-3-carbonitrile
CID 155892044
(1S,5S)-1-propan-2-yl-3-azabicyclo[3.1.0]hexan-2-one
CID 55299406
[(3R,4R)-3,4-dimethyl-2-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 125452555
5-methyl-3-oxo-2,3a,4,6,7,7a-hexahydro-1H-isoindole-5-carbonitrile
CID 166840021
(1S,10S)-10-methyl-1-(2-methylpropyl)-8-azatricyclo[4.3.1.03,10]decan-9-one
CID 90662195
1,7-dimethyl-1,2,3,5,6,7-hexahydropyrrolizine-8-carbonitrile
CID 12013445

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-cyclopropyl-4-methyl-2-oxopyrrolidine-3-carbonitrile?
The IUPAC name of (3R,4S)-3-cyclopropyl-4-methyl-2-oxopyrrolidine-3-carbonitrile (CID 155905032) is (3R,4S)-3-cyclopropyl-4-methyl-2-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for (3R,4S)-3-cyclopropyl-4-methyl-2-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for (3R,4S)-3-cyclopropyl-4-methyl-2-oxopyrrolidine-3-carbonitrile is C[C@@H]1CNC(=O)[C@]1(C#N)C1CC1.
What is the InChIKey of (3R,4S)-3-cyclopropyl-4-methyl-2-oxopyrrolidine-3-carbonitrile?
The InChIKey is DQVJCDONHAWZSR-MUWHJKNJSA-N. The full InChI is InChI=1S/C9H12N2O/c1-6-4-11-8(12)9(6,5-10)7-2-3-7/h6-7H,2-4H2,1H3,(H,11,12)/t6-,9+/m1/s1.
What are the key properties of (3R,4S)-3-cyclopropyl-4-methyl-2-oxopyrrolidine-3-carbonitrile?
(3R,4S)-3-cyclopropyl-4-methyl-2-oxopyrrolidine-3-carbonitrile has a molecular weight of 164.21 g/mol, XLogP of 0.67, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-cyclopropyl-4-methyl-2-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 155905032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).