(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonitrile

C8H10N2O — CID 42259961

IUPAC(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonitrile
SMILESN#C[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C8H10N2O/c9-4-6-3-8(11)10(5-6)7-1-2-7/h6-7H,1-3,5H2/t6-/m1/s1
InChIKeyMURAFRHEUDDTMA-ZCFIWIBFSA-N
MW150.18 g/mol
LogP0.52
Rot. Bonds1

About (3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonitrile

(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonitrile (PubChem CID 42259961) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is (3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonitrile
PubChem CID42259961
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonitrile
SMILESN#C[C@H]1CC(=O)N(C2CC2)C1
InChIInChI=1S/C8H10N2O/c9-4-6-3-8(11)10(5-6)7-1-2-7/h6-7H,1-3,5H2/t6-/m1/s1
InChIKeyMURAFRHEUDDTMA-ZCFIWIBFSA-N
XLogP0.52
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethylazetidin-3-yl)-5-oxopyrrolidine-3-carbonitrile
CID 126987866
1-(1-butan-2-ylpiperidin-4-yl)-5-oxopyrrolidine-3-carbonitrile
CID 117005653
5-oxo-1-(1-propan-2-ylpiperidin-3-yl)pyrrolidine-3-carbonitrile
CID 117005786
(4S)-1-cyclopropyl-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259346
4-ethynyl-1-(1-propylpiperidin-4-yl)pyrrolidin-2-one
CID 168500448
4-ethynyl-1-[(3R)-piperidin-3-yl]pyrrolidin-2-one
CID 168500194
1-(4-aminocyclohexyl)-4-hydroxypyrrolidin-2-one
CID 168702823
4-(aminomethyl)-1-(1-cyclopropylpiperidin-4-yl)pyrrolidin-2-one
CID 117005664
1-(azepan-3-yl)-4-ethynylpyrrolidin-2-one
CID 168500126
(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidine-3-carbonitrile
CID 42260431
(4S)-1-cyclohexyl-4-methylpyrrolidin-2-one
CID 163909402
4-chloro-1-cyclohexylpyrrolidin-2-one
CID 168688489

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonitrile?
The IUPAC name of (3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonitrile (CID 42259961) is (3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for (3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for (3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonitrile is N#C[C@H]1CC(=O)N(C2CC2)C1.
What is the InChIKey of (3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonitrile?
The InChIKey is MURAFRHEUDDTMA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C8H10N2O/c9-4-6-3-8(11)10(5-6)7-1-2-7/h6-7H,1-3,5H2/t6-/m1/s1.
What are the key properties of (3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonitrile?
(3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonitrile has a molecular weight of 150.18 g/mol, XLogP of 0.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclopropyl-5-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 42259961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).