(E,2R)-2-hydroxy-2-methylpent-3-enenitrile

C6H9NO — CID 10772945

IUPAC(E,2R)-2-hydroxy-2-methylpent-3-enenitrile
SMILESC/C=C/[C@@](C)(O)C#N
InChIInChI=1S/C6H9NO/c1-3-4-6(2,8)5-7/h3-4,8H,1-2H3/b4-3+/t6-/m1/s1
InChIKeyLNRITHVLIRAKRX-FCJGRKLLSA-N
MW111.14 g/mol
LogP0.84
Rot. Bonds1

About (E,2R)-2-hydroxy-2-methylpent-3-enenitrile

(E,2R)-2-hydroxy-2-methylpent-3-enenitrile (PubChem CID 10772945) has the molecular formula C6H9NO and a molecular weight of 111.14 g/mol. Its IUPAC name is (E,2R)-2-hydroxy-2-methylpent-3-enenitrile.

Molecular Properties

Compound Name(E,2R)-2-hydroxy-2-methylpent-3-enenitrile
PubChem CID10772945
Molecular FormulaC6H9NO
Molecular Weight111.14 g/mol
Exact Mass111.07
IUPAC Name(E,2R)-2-hydroxy-2-methylpent-3-enenitrile
SMILESC/C=C/[C@@](C)(O)C#N
InChIInChI=1S/C6H9NO/c1-3-4-6(2,8)5-7/h3-4,8H,1-2H3/b4-3+/t6-/m1/s1
InChIKeyLNRITHVLIRAKRX-FCJGRKLLSA-N
XLogP0.84
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
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': 'cyanohydrins', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-Hydroxy-4-methyl-2-pentenenitrile
CID 73186853
(E)-4-hydroxy-4-methylpent-2-enenitrile
CID 13733434
(E)-2-hydroxy-2-methylhept-3-enenitrile
CID 134963677
2-Hydroxy-2,6-dimethylhept-3-enenitrile
CID 54485116
(3E,5Z)-7-hydroxy-3-methylocta-3,5,7-trienenitrile
CID 89101945
(3Z)-5-hydroxy-2,2-dimethylhexa-3,5-dienenitrile
CID 167184744
(3Z)-5-hydroxy-2-methylhexa-3,5-dienenitrile
CID 167184890
(E,2R)-2-ethyl-2-hydroxypent-3-enenitrile
CID 10606743
(E,2R)-2-hydroxy-2-prop-2-enylpent-3-enenitrile
CID 15309515
(E)-5-hydroxy-2-methylpent-3-enenitrile
CID 15312588
(E)-5-hydroperoxy-5-methylhex-3-enenitrile
CID 25208976
2-Hydroxy-2,4-dimethylpent-3-enenitrile
CID 66180051

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-hydroxy-2-methylpent-3-enenitrile?
The IUPAC name of (E,2R)-2-hydroxy-2-methylpent-3-enenitrile (CID 10772945) is (E,2R)-2-hydroxy-2-methylpent-3-enenitrile.
What is the SMILES notation for (E,2R)-2-hydroxy-2-methylpent-3-enenitrile?
The canonical SMILES for (E,2R)-2-hydroxy-2-methylpent-3-enenitrile is C/C=C/[C@@](C)(O)C#N.
What is the InChIKey of (E,2R)-2-hydroxy-2-methylpent-3-enenitrile?
The InChIKey is LNRITHVLIRAKRX-FCJGRKLLSA-N. The full InChI is InChI=1S/C6H9NO/c1-3-4-6(2,8)5-7/h3-4,8H,1-2H3/b4-3+/t6-/m1/s1.
What are the key properties of (E,2R)-2-hydroxy-2-methylpent-3-enenitrile?
(E,2R)-2-hydroxy-2-methylpent-3-enenitrile has a molecular weight of 111.14 g/mol, XLogP of 0.84, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-hydroxy-2-methylpent-3-enenitrile is sourced from PubChem (CID 10772945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).