9-hydroxynona-3,6-diynenitrile

C9H9NO — CID 134276356

IUPAC9-hydroxynona-3,6-diynenitrile
SMILESN#CCC#CCC#CCCO
InChIInChI=1S/C9H9NO/c10-8-6-4-2-1-3-5-7-9-11/h11H,1,6-7,9H2
InChIKeyYUKOKXRMYBTYNB-UHFFFAOYSA-N
MW147.18 g/mol
LogP0.68
Rot. Bonds1

About 9-hydroxynona-3,6-diynenitrile

9-hydroxynona-3,6-diynenitrile (PubChem CID 134276356) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 9-hydroxynona-3,6-diynenitrile.

Molecular Properties

Compound Name9-hydroxynona-3,6-diynenitrile
PubChem CID134276356
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name9-hydroxynona-3,6-diynenitrile
SMILESN#CCC#CCC#CCCO
InChIInChI=1S/C9H9NO/c10-8-6-4-2-1-3-5-7-9-11/h11H,1,6-7,9H2
InChIKeyYUKOKXRMYBTYNB-UHFFFAOYSA-N
XLogP0.68
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-hydroxynona-3,6-diynenitrile?
The IUPAC name of 9-hydroxynona-3,6-diynenitrile (CID 134276356) is 9-hydroxynona-3,6-diynenitrile.
What is the SMILES notation for 9-hydroxynona-3,6-diynenitrile?
The canonical SMILES for 9-hydroxynona-3,6-diynenitrile is N#CCC#CCC#CCCO.
What is the InChIKey of 9-hydroxynona-3,6-diynenitrile?
The InChIKey is YUKOKXRMYBTYNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c10-8-6-4-2-1-3-5-7-9-11/h11H,1,6-7,9H2.
What are the key properties of 9-hydroxynona-3,6-diynenitrile?
9-hydroxynona-3,6-diynenitrile has a molecular weight of 147.18 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxynona-3,6-diynenitrile is sourced from PubChem (CID 134276356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).