2-[(2R)-2-ethyl-2-methyl-3-oxobutyl]propanedinitrile

C10H14N2O — CID 7568193

IUPAC2-[(2R)-2-ethyl-2-methyl-3-oxobutyl]propanedinitrile
SMILESCC[C@](C)(CC(C#N)C#N)C(C)=O
InChIInChI=1S/C10H14N2O/c1-4-10(3,8(2)13)5-9(6-11)7-12/h9H,4-5H2,1-3H3/t10-/m1/s1
InChIKeyMHSIZUBMDRTPFJ-SNVBAGLBSA-N
MW178.23 g/mol
LogP2.05
Rot. Bonds4

About 2-[(2R)-2-ethyl-2-methyl-3-oxobutyl]propanedinitrile

2-[(2R)-2-ethyl-2-methyl-3-oxobutyl]propanedinitrile (PubChem CID 7568193) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-[(2R)-2-ethyl-2-methyl-3-oxobutyl]propanedinitrile.

Molecular Properties

Compound Name2-[(2R)-2-ethyl-2-methyl-3-oxobutyl]propanedinitrile
PubChem CID7568193
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name2-[(2R)-2-ethyl-2-methyl-3-oxobutyl]propanedinitrile
SMILESCC[C@](C)(CC(C#N)C#N)C(C)=O
InChIInChI=1S/C10H14N2O/c1-4-10(3,8(2)13)5-9(6-11)7-12/h9H,4-5H2,1-3H3/t10-/m1/s1
InChIKeyMHSIZUBMDRTPFJ-SNVBAGLBSA-N
XLogP2.05
TPSA64.65 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-3-methylhex-5-yn-2-one
CID 130028478
5-acetyl-3,3,5,7,7-pentamethylnonane-2,8-dione
CID 58195604
2-ethyl-2-methyl-3-oxobutanenitrile
CID 65393177
5-acetyl-3-(2,2-dimethylpropyl)-7-ethyl-3,5,7-trimethylnonane-2,8-dione
CID 130177463
(3S)-3-ethyl-3-methylnonan-2-one
CID 177059310
3-methyl-3-(trimethylsilylmethyl)pentan-2-one
CID 58820876
2-acetyl-4,4-dimethylpentanenitrile
CID 167594971
(3R)-3-ethyl-3,6-dimethylhept-5-en-2-one
CID 118389184
(2,4-diethyl-2,4-dimethyl-5-oxohexoxy)-trihydroxyphosphanium
CID 88943906
2-acetyl-2-ethyl-3-methylbutanenitrile
CID 141089775
3-ethyl-3,6-dimethyl-5-methylidenehept-6-en-2-one
CID 59467315
4-ethyl-2,2,4-trimethyl-5-oxohexanoyl chloride
CID 23391468

Frequently Asked Questions

What is the IUPAC name of 2-[(2R)-2-ethyl-2-methyl-3-oxobutyl]propanedinitrile?
The IUPAC name of 2-[(2R)-2-ethyl-2-methyl-3-oxobutyl]propanedinitrile (CID 7568193) is 2-[(2R)-2-ethyl-2-methyl-3-oxobutyl]propanedinitrile.
What is the SMILES notation for 2-[(2R)-2-ethyl-2-methyl-3-oxobutyl]propanedinitrile?
The canonical SMILES for 2-[(2R)-2-ethyl-2-methyl-3-oxobutyl]propanedinitrile is CC[C@](C)(CC(C#N)C#N)C(C)=O.
What is the InChIKey of 2-[(2R)-2-ethyl-2-methyl-3-oxobutyl]propanedinitrile?
The InChIKey is MHSIZUBMDRTPFJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H14N2O/c1-4-10(3,8(2)13)5-9(6-11)7-12/h9H,4-5H2,1-3H3/t10-/m1/s1.
What are the key properties of 2-[(2R)-2-ethyl-2-methyl-3-oxobutyl]propanedinitrile?
2-[(2R)-2-ethyl-2-methyl-3-oxobutyl]propanedinitrile has a molecular weight of 178.23 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R)-2-ethyl-2-methyl-3-oxobutyl]propanedinitrile is sourced from PubChem (CID 7568193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).