(2R)-2-(2-methoxyphenyl)-3-oxopentanenitrile

C12H13NO2 — CID 93260273

IUPAC(2R)-2-(2-methoxyphenyl)-3-oxopentanenitrile
SMILESCCC(=O)[C@@H](C#N)c1ccccc1OC
InChIInChI=1S/C12H13NO2/c1-3-11(14)10(8-13)9-6-4-5-7-12(9)15-2/h4-7,10H,3H2,1-2H3/t10-/m0/s1
InChIKeyBRPLMIBVDOJEOA-JTQLQIEISA-N
MW203.24 g/mol
LogP2.28
Rot. Bonds4

About (2R)-2-(2-methoxyphenyl)-3-oxopentanenitrile

(2R)-2-(2-methoxyphenyl)-3-oxopentanenitrile (PubChem CID 93260273) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is (2R)-2-(2-methoxyphenyl)-3-oxopentanenitrile.

Molecular Properties

Compound Name(2R)-2-(2-methoxyphenyl)-3-oxopentanenitrile
PubChem CID93260273
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name(2R)-2-(2-methoxyphenyl)-3-oxopentanenitrile
SMILESCCC(=O)[C@@H](C#N)c1ccccc1OC
InChIInChI=1S/C12H13NO2/c1-3-11(14)10(8-13)9-6-4-5-7-12(9)15-2/h4-7,10H,3H2,1-2H3/t10-/m0/s1
InChIKeyBRPLMIBVDOJEOA-JTQLQIEISA-N
XLogP2.28
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxyphenyl)-3-oxo-4-phenylbutanenitrile
CID 174608687
2-(2-methoxyphenyl)-3-oxoundecanenitrile
CID 65426340
ethyl 2-cyano-2-(2-methoxyphenyl)acetate
CID 13432076
2-cyano-2-(2-methoxyphenyl)acetamide
CID 16762344
phenyl 2-cyano-2-(2-methoxyphenyl)acetate
CID 68736409
N-[cyano-(2-methoxyphenyl)methyl]propanamide
CID 56687193
2-(2-methoxyphenyl)-3-oxo-3-(2,2,3,3-tetramethylcyclopropyl)propanenitrile
CID 66477278
4-(2-bicyclo[2.2.1]heptanyl)-2-(2-methoxyphenyl)-3-oxobutanenitrile
CID 43334457
2-(2-methoxyphenyl)-4-methylsulfonyl-3-oxopentanenitrile
CID 104519573
2-(3-fluoro-4-methoxyphenyl)-3-oxopentanenitrile
CID 82114447
ethyl 3-cyano-3-(2-methoxyphenyl)propanoate
CID 112508157
3-cyano-3-(2-methoxyphenyl)-N-methylpropanamide
CID 82127316

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyphenyl)-3-oxopentanenitrile?
The IUPAC name of (2R)-2-(2-methoxyphenyl)-3-oxopentanenitrile (CID 93260273) is (2R)-2-(2-methoxyphenyl)-3-oxopentanenitrile.
What is the SMILES notation for (2R)-2-(2-methoxyphenyl)-3-oxopentanenitrile?
The canonical SMILES for (2R)-2-(2-methoxyphenyl)-3-oxopentanenitrile is CCC(=O)[C@@H](C#N)c1ccccc1OC.
What is the InChIKey of (2R)-2-(2-methoxyphenyl)-3-oxopentanenitrile?
The InChIKey is BRPLMIBVDOJEOA-JTQLQIEISA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-11(14)10(8-13)9-6-4-5-7-12(9)15-2/h4-7,10H,3H2,1-2H3/t10-/m0/s1.
What are the key properties of (2R)-2-(2-methoxyphenyl)-3-oxopentanenitrile?
(2R)-2-(2-methoxyphenyl)-3-oxopentanenitrile has a molecular weight of 203.24 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxyphenyl)-3-oxopentanenitrile is sourced from PubChem (CID 93260273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).