(E,2S)-2-hydroxynon-3-enenitrile

C9H15NO — CID 10855671

IUPAC(E,2S)-2-hydroxynon-3-enenitrile
SMILESCCCCC/C=C/[C@H](O)C#N
InChIInChI=1S/C9H15NO/c1-2-3-4-5-6-7-9(11)8-10/h6-7,9,11H,2-5H2,1H3/b7-6+/t9-/m0/s1
InChIKeyIIJYTNPUHBMVGA-UCUJLANTSA-N
MW153.22 g/mol
LogP2.01
Rot. Bonds5

About (E,2S)-2-hydroxynon-3-enenitrile

(E,2S)-2-hydroxynon-3-enenitrile (PubChem CID 10855671) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (E,2S)-2-hydroxynon-3-enenitrile.

Molecular Properties

Compound Name(E,2S)-2-hydroxynon-3-enenitrile
PubChem CID10855671
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(E,2S)-2-hydroxynon-3-enenitrile
SMILESCCCCC/C=C/[C@H](O)C#N
InChIInChI=1S/C9H15NO/c1-2-3-4-5-6-7-9(11)8-10/h6-7,9,11H,2-5H2,1H3/b7-6+/t9-/m0/s1
InChIKeyIIJYTNPUHBMVGA-UCUJLANTSA-N
XLogP2.01
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanohydrins', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(R,E)-2-Hydroxy-3-pentenenitrile
CID 11137099
(2S,3E)-2-hydroxypent-3-enenitrile
CID 10909491
(2S,3E)-2-hydroxyhept-3-enenitrile
CID 55265295
CID 245627
CID 245627
2-Hydroxypent-3-enenitrile
CID 5949985
(r)-2-Hydroxy-3-pentenenitrile
CID 53648315
(2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile
CID 11007888
(2R,3E)-2-hydroxy-4,8-dimethylnona-3,7-dienenitrile
CID 11964173
2-[(E)-1-hydroxybut-2-enyl]-3-propylhex-2-enenitrile
CID 12140501
(2E)-4-hydroxy-2-octenenitrile
CID 13613149
(E,4R)-4-hydroxyoct-2-enenitrile
CID 13613150
(E,4S)-4-hydroxyoct-2-enenitrile
CID 92975566

Frequently Asked Questions

What is the IUPAC name of (E,2S)-2-hydroxynon-3-enenitrile?
The IUPAC name of (E,2S)-2-hydroxynon-3-enenitrile (CID 10855671) is (E,2S)-2-hydroxynon-3-enenitrile.
What is the SMILES notation for (E,2S)-2-hydroxynon-3-enenitrile?
The canonical SMILES for (E,2S)-2-hydroxynon-3-enenitrile is CCCCC/C=C/[C@H](O)C#N.
What is the InChIKey of (E,2S)-2-hydroxynon-3-enenitrile?
The InChIKey is IIJYTNPUHBMVGA-UCUJLANTSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-3-4-5-6-7-9(11)8-10/h6-7,9,11H,2-5H2,1H3/b7-6+/t9-/m0/s1.
What are the key properties of (E,2S)-2-hydroxynon-3-enenitrile?
(E,2S)-2-hydroxynon-3-enenitrile has a molecular weight of 153.22 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-2-hydroxynon-3-enenitrile is sourced from PubChem (CID 10855671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).