(2S,4R)-4-methoxy-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile

C10H16N2O2 — CID 176757487

IUPAC(2S,4R)-4-methoxy-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile
SMILESCO[C@@H]1C[C@@H](C#N)N(C(=O)C(C)C)C1
InChIInChI=1S/C10H16N2O2/c1-7(2)10(13)12-6-9(14-3)4-8(12)5-11/h7-9H,4,6H2,1-3H3/t8-,9+/m0/s1
InChIKeyJGJSQXPQGYAABW-DTWKUNHWSA-N
MW196.25 g/mol
LogP0.78
Rot. Bonds2

About (2S,4R)-4-methoxy-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile

(2S,4R)-4-methoxy-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile (PubChem CID 176757487) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (2S,4R)-4-methoxy-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S,4R)-4-methoxy-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile
PubChem CID176757487
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(2S,4R)-4-methoxy-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile
SMILESCO[C@@H]1C[C@@H](C#N)N(C(=O)C(C)C)C1
InChIInChI=1S/C10H16N2O2/c1-7(2)10(13)12-6-9(14-3)4-8(12)5-11/h7-9H,4,6H2,1-3H3/t8-,9+/m0/s1
InChIKeyJGJSQXPQGYAABW-DTWKUNHWSA-N
XLogP0.78
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-methoxy-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile?
The IUPAC name of (2S,4R)-4-methoxy-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile (CID 176757487) is (2S,4R)-4-methoxy-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S,4R)-4-methoxy-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S,4R)-4-methoxy-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile is CO[C@@H]1C[C@@H](C#N)N(C(=O)C(C)C)C1.
What is the InChIKey of (2S,4R)-4-methoxy-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile?
The InChIKey is JGJSQXPQGYAABW-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)10(13)12-6-9(14-3)4-8(12)5-11/h7-9H,4,6H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of (2S,4R)-4-methoxy-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile?
(2S,4R)-4-methoxy-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile has a molecular weight of 196.25 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-methoxy-1-(2-methylpropanoyl)pyrrolidine-2-carbonitrile is sourced from PubChem (CID 176757487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).