(Z)-2-(2-hydroxypropan-2-yl)but-2-enedinitrile

C7H8N2O — CID 101397632

IUPAC(Z)-2-(2-hydroxypropan-2-yl)but-2-enedinitrile
SMILESCC(C)(O)/C(C#N)=C\C#N
InChIInChI=1S/C7H8N2O/c1-7(2,10)6(5-9)3-4-8/h3,10H,1-2H3/b6-3-
InChIKeyFWZMJWJQWWXQHF-UTCJRWHESA-N
MW136.15 g/mol
LogP0.73
Rot. Bonds1

About (Z)-2-(2-hydroxypropan-2-yl)but-2-enedinitrile

(Z)-2-(2-hydroxypropan-2-yl)but-2-enedinitrile (PubChem CID 101397632) has the molecular formula C7H8N2O and a molecular weight of 136.15 g/mol. Its IUPAC name is (Z)-2-(2-hydroxypropan-2-yl)but-2-enedinitrile.

Molecular Properties

Compound Name(Z)-2-(2-hydroxypropan-2-yl)but-2-enedinitrile
PubChem CID101397632
Molecular FormulaC7H8N2O
Molecular Weight136.15 g/mol
Exact Mass136.06
IUPAC Name(Z)-2-(2-hydroxypropan-2-yl)but-2-enedinitrile
SMILESCC(C)(O)/C(C#N)=C\C#N
InChIInChI=1S/C7H8N2O/c1-7(2,10)6(5-9)3-4-8/h3,10H,1-2H3/b6-3-
InChIKeyFWZMJWJQWWXQHF-UTCJRWHESA-N
XLogP0.73
TPSA67.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.15
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(E)-2-(2-hydroxybutan-2-yl)but-2-enedinitrile
CID 131862955
3-Hydroxy-3-methyl-2-methylidenebutanenitrile
CID 14222398
(2E)-2-(1-Hydroxy-1-methylethyl)-2-butenedinitrile
CID 131862954
(E)-3-(2-hydroxypropan-2-yl)hex-2-en-4-ynedinitrile
CID 162397076
(Z)-2-(1-hydroxyethenyl)pent-2-enenitrile
CID 149153632
(E,2R)-2-ethyl-2-hydroxypent-3-enenitrile
CID 10606743
(E)-2-(2-hydroxypropan-2-yl)but-2-enenitrile
CID 14222396
(E)-2-(2-hydroxypropan-2-yl)hept-2-enenitrile
CID 14266422
2-Hydroxy-2,4-dimethylpent-3-enenitrile
CID 66180051
4-Hydroxy-3,4-dimethylpent-2-enenitrile
CID 71441732
2-(2-Hydroxypropan-2-yl)but-2-enedinitrile
CID 86241015
(E)-4-hydroxy-3,4-dimethylpent-2-enenitrile
CID 91998744

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(2-hydroxypropan-2-yl)but-2-enedinitrile?
The IUPAC name of (Z)-2-(2-hydroxypropan-2-yl)but-2-enedinitrile (CID 101397632) is (Z)-2-(2-hydroxypropan-2-yl)but-2-enedinitrile.
What is the SMILES notation for (Z)-2-(2-hydroxypropan-2-yl)but-2-enedinitrile?
The canonical SMILES for (Z)-2-(2-hydroxypropan-2-yl)but-2-enedinitrile is CC(C)(O)/C(C#N)=C\C#N.
What is the InChIKey of (Z)-2-(2-hydroxypropan-2-yl)but-2-enedinitrile?
The InChIKey is FWZMJWJQWWXQHF-UTCJRWHESA-N. The full InChI is InChI=1S/C7H8N2O/c1-7(2,10)6(5-9)3-4-8/h3,10H,1-2H3/b6-3-.
What are the key properties of (Z)-2-(2-hydroxypropan-2-yl)but-2-enedinitrile?
(Z)-2-(2-hydroxypropan-2-yl)but-2-enedinitrile has a molecular weight of 136.15 g/mol, XLogP of 0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(2-hydroxypropan-2-yl)but-2-enedinitrile is sourced from PubChem (CID 101397632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).