(E)-5-hydroxy-2-methylpent-2-enenitrile

C6H9NO — CID 14266437

IUPAC(E)-5-hydroxy-2-methylpent-2-enenitrile
SMILESC/C(C#N)=C\CCO
InChIInChI=1S/C6H9NO/c1-6(5-7)3-2-4-8/h3,8H,2,4H2,1H3/b6-3+
InChIKeyTVSGYFGHTQACOW-ZZXKWVIFSA-N
MW111.14 g/mol
LogP0.84
Rot. Bonds2

About (E)-5-hydroxy-2-methylpent-2-enenitrile

(E)-5-hydroxy-2-methylpent-2-enenitrile (PubChem CID 14266437) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (E)-5-hydroxy-2-methylpent-2-enenitrile.

Molecular Properties

Compound Name(E)-5-hydroxy-2-methylpent-2-enenitrile
PubChem CID14266437
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(E)-5-hydroxy-2-methylpent-2-enenitrile
SMILESC/C(C#N)=C\CCO
InChIInChI=1S/C6H9NO/c1-6(5-7)3-2-4-8/h3,8H,2,4H2,1H3/b6-3+
InChIKeyTVSGYFGHTQACOW-ZZXKWVIFSA-N
XLogP0.84
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.14
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-methylpent-2-enenitrile
CID 5352199
2-methylicos-2-enenitrile
CID 175504471
2,8-dimethylnona-2,7-dienenitrile
CID 162785101
(2Z)-2,6-dimethylhepta-2,5-dienenitrile
CID 134917311
4-[2-(3-cyanobut-2-enyl)hydrazinyl]-2-methylbut-2-enenitrile
CID 91036112
(Z)-2,5-dimethylhex-2-enenitrile
CID 135253424
ethane;(E)-2-methylbut-2-enenitrile
CID 143019003
4-(5-hydroxypent-2-en-2-yloxy)pent-3-en-1-ol
CID 141072795
(Z)-3-methylhex-3-ene-1,6-diol
CID 129322397
2-methylhex-2-ene;oxalonitrile
CID 174896444
(2E,4E)-5-fluoro-2-methylhepta-2,4-dienenitrile
CID 176963287
(3E,7E)-4,8-dimethyldeca-3,7-dien-1-ol
CID 22749874

Frequently Asked Questions

What is the IUPAC name of (E)-5-hydroxy-2-methylpent-2-enenitrile?
The IUPAC name of (E)-5-hydroxy-2-methylpent-2-enenitrile (CID 14266437) is (E)-5-hydroxy-2-methylpent-2-enenitrile.
What is the SMILES notation for (E)-5-hydroxy-2-methylpent-2-enenitrile?
The canonical SMILES for (E)-5-hydroxy-2-methylpent-2-enenitrile is C/C(C#N)=C\CCO.
What is the InChIKey of (E)-5-hydroxy-2-methylpent-2-enenitrile?
The InChIKey is TVSGYFGHTQACOW-ZZXKWVIFSA-N. The full InChI is InChI=1S/C6H9NO/c1-6(5-7)3-2-4-8/h3,8H,2,4H2,1H3/b6-3+.
What are the key properties of (E)-5-hydroxy-2-methylpent-2-enenitrile?
(E)-5-hydroxy-2-methylpent-2-enenitrile has a molecular weight of 111.14 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-hydroxy-2-methylpent-2-enenitrile is sourced from PubChem (CID 14266437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).