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

C10H14N2O — CID 155904583

IUPAC(3S,4R)-3-cyclopropyl-4-ethyl-2-oxopyrrolidine-3-carbonitrile
SMILESCC[C@H]1CNC(=O)[C@@]1(C#N)C1CC1
InChIInChI=1S/C10H14N2O/c1-2-7-5-12-9(13)10(7,6-11)8-3-4-8/h7-8H,2-5H2,1H3,(H,12,13)/t7-,10+/m0/s1
InChIKeyOMZIYSJCNGPYBY-OIBJUYFYSA-N
MW178.23 g/mol
LogP1.06
Rot. Bonds2

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

(3S,4R)-3-cyclopropyl-4-ethyl-2-oxopyrrolidine-3-carbonitrile (PubChem CID 155904583) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (3S,4R)-3-cyclopropyl-4-ethyl-2-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name(3S,4R)-3-cyclopropyl-4-ethyl-2-oxopyrrolidine-3-carbonitrile
PubChem CID155904583
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(3S,4R)-3-cyclopropyl-4-ethyl-2-oxopyrrolidine-3-carbonitrile
SMILESCC[C@H]1CNC(=O)[C@@]1(C#N)C1CC1
InChIInChI=1S/C10H14N2O/c1-2-7-5-12-9(13)10(7,6-11)8-3-4-8/h7-8H,2-5H2,1H3,(H,12,13)/t7-,10+/m0/s1
InChIKeyOMZIYSJCNGPYBY-OIBJUYFYSA-N
XLogP1.06
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-cyclopropyl-4-ethyl-2-oxopyrrolidine-3-carbonitrile?
The IUPAC name of (3S,4R)-3-cyclopropyl-4-ethyl-2-oxopyrrolidine-3-carbonitrile (CID 155904583) is (3S,4R)-3-cyclopropyl-4-ethyl-2-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for (3S,4R)-3-cyclopropyl-4-ethyl-2-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for (3S,4R)-3-cyclopropyl-4-ethyl-2-oxopyrrolidine-3-carbonitrile is CC[C@H]1CNC(=O)[C@@]1(C#N)C1CC1.
What is the InChIKey of (3S,4R)-3-cyclopropyl-4-ethyl-2-oxopyrrolidine-3-carbonitrile?
The InChIKey is OMZIYSJCNGPYBY-OIBJUYFYSA-N. The full InChI is InChI=1S/C10H14N2O/c1-2-7-5-12-9(13)10(7,6-11)8-3-4-8/h7-8H,2-5H2,1H3,(H,12,13)/t7-,10+/m0/s1.
What are the key properties of (3S,4R)-3-cyclopropyl-4-ethyl-2-oxopyrrolidine-3-carbonitrile?
(3S,4R)-3-cyclopropyl-4-ethyl-2-oxopyrrolidine-3-carbonitrile has a molecular weight of 178.23 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-cyclopropyl-4-ethyl-2-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 155904583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).