(2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile

C7H9NO — CID 11007888

IUPAC(2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile
SMILESC/C=C/C=C/[C@@H](O)C#N
InChIInChI=1S/C7H9NO/c1-2-3-4-5-7(9)6-8/h2-5,7,9H,1H3/b3-2+,5-4+/t7-/m1/s1
InChIKeyKKZBEJYQUGERIB-XOCXLOGJSA-N
MW123.15 g/mol
LogP1.00
Rot. Bonds2

About (2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile

(2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile (PubChem CID 11007888) has the molecular formula C7H9NO and a molecular weight of 123.15 g/mol. Its IUPAC name is (2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile.

Molecular Properties

Compound Name(2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile
PubChem CID11007888
Molecular FormulaC7H9NO
Molecular Weight123.15 g/mol
Exact Mass123.07
IUPAC Name(2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile
SMILESC/C=C/C=C/[C@@H](O)C#N
InChIInChI=1S/C7H9NO/c1-2-3-4-5-7(9)6-8/h2-5,7,9H,1H3/b3-2+,5-4+/t7-/m1/s1
InChIKeyKKZBEJYQUGERIB-XOCXLOGJSA-N
XLogP1.00
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.15
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R,E)-2-Hydroxy-3-pentenenitrile
CID 11137099
3,5-Hexadien-2-ol
CID 5363296
(2S,3E)-2-hydroxypent-3-enenitrile
CID 10909491
(2S,3E)-2-hydroxyhept-3-enenitrile
CID 55265295
(E)-4-hydroxypent-2-enenitrile
CID 11137097
CID 245627
CID 245627
2-Hydroxypent-3-enenitrile
CID 5949985
3,5-Heptadien-2-ol
CID 11147686
(E)-5-hydroxypent-3-enenitrile
CID 15256586
(r)-2-Hydroxy-3-pentenenitrile
CID 53648315
Hexa-3,5-dien-2-ol
CID 520595
4-Hydroxypent-2-enenitrile
CID 53973376

Frequently Asked Questions

What is the IUPAC name of (2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile?
The IUPAC name of (2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile (CID 11007888) is (2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile.
What is the SMILES notation for (2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile?
The canonical SMILES for (2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile is C/C=C/C=C/[C@@H](O)C#N.
What is the InChIKey of (2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile?
The InChIKey is KKZBEJYQUGERIB-XOCXLOGJSA-N. The full InChI is InChI=1S/C7H9NO/c1-2-3-4-5-7(9)6-8/h2-5,7,9H,1H3/b3-2+,5-4+/t7-/m1/s1.
What are the key properties of (2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile?
(2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile has a molecular weight of 123.15 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E,5E)-2-hydroxyhepta-3,5-dienenitrile is sourced from PubChem (CID 11007888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).