9-hydroxynon-5-ynenitrile

C9H13NO — CID 10240976

IUPAC9-hydroxynon-5-ynenitrile
SMILESN#CCCCC#CCCCO
InChIInChI=1S/C9H13NO/c10-8-6-4-2-1-3-5-7-9-11/h11H,2,4-7,9H2
InChIKeyCLCUYMKCSFRRHL-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.46
Rot. Bonds4

About 9-hydroxynon-5-ynenitrile

9-hydroxynon-5-ynenitrile (PubChem CID 10240976) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 9-hydroxynon-5-ynenitrile.

Molecular Properties

Compound Name9-hydroxynon-5-ynenitrile
PubChem CID10240976
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name9-hydroxynon-5-ynenitrile
SMILESN#CCCCC#CCCCO
InChIInChI=1S/C9H13NO/c10-8-6-4-2-1-3-5-7-9-11/h11H,2,4-7,9H2
InChIKeyCLCUYMKCSFRRHL-UHFFFAOYSA-N
XLogP1.46
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 9-hydroxynon-5-ynenitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-hydroxynon-5-ynenitrile?
The IUPAC name of 9-hydroxynon-5-ynenitrile (CID 10240976) is 9-hydroxynon-5-ynenitrile.
What is the SMILES notation for 9-hydroxynon-5-ynenitrile?
The canonical SMILES for 9-hydroxynon-5-ynenitrile is N#CCCCC#CCCCO.
What is the InChIKey of 9-hydroxynon-5-ynenitrile?
The InChIKey is CLCUYMKCSFRRHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c10-8-6-4-2-1-3-5-7-9-11/h11H,2,4-7,9H2.
What are the key properties of 9-hydroxynon-5-ynenitrile?
9-hydroxynon-5-ynenitrile has a molecular weight of 151.21 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxynon-5-ynenitrile is sourced from PubChem (CID 10240976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).