(E)-6-oxonon-7-enenitrile

C9H13NO — CID 101091125

IUPAC(E)-6-oxonon-7-enenitrile
SMILESC/C=C/C(=O)CCCCC#N
InChIInChI=1S/C9H13NO/c1-2-6-9(11)7-4-3-5-8-10/h2,6H,3-5,7H2,1H3/b6-2+
InChIKeyHFJDAHBJCXFARV-QHHAFSJGSA-N
MW151.21 g/mol
LogP2.22
Rot. Bonds5

About (E)-6-oxonon-7-enenitrile

(E)-6-oxonon-7-enenitrile (PubChem CID 101091125) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is (E)-6-oxonon-7-enenitrile.

Molecular Properties

Compound Name(E)-6-oxonon-7-enenitrile
PubChem CID101091125
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name(E)-6-oxonon-7-enenitrile
SMILESC/C=C/C(=O)CCCCC#N
InChIInChI=1S/C9H13NO/c1-2-6-9(11)7-4-3-5-8-10/h2,6H,3-5,7H2,1H3/b6-2+
InChIKeyHFJDAHBJCXFARV-QHHAFSJGSA-N
XLogP2.22
TPSA40.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-6-oxonon-7-enenitrile?
The IUPAC name of (E)-6-oxonon-7-enenitrile (CID 101091125) is (E)-6-oxonon-7-enenitrile.
What is the SMILES notation for (E)-6-oxonon-7-enenitrile?
The canonical SMILES for (E)-6-oxonon-7-enenitrile is C/C=C/C(=O)CCCCC#N.
What is the InChIKey of (E)-6-oxonon-7-enenitrile?
The InChIKey is HFJDAHBJCXFARV-QHHAFSJGSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-6-9(11)7-4-3-5-8-10/h2,6H,3-5,7H2,1H3/b6-2+.
What are the key properties of (E)-6-oxonon-7-enenitrile?
(E)-6-oxonon-7-enenitrile has a molecular weight of 151.21 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6-oxonon-7-enenitrile is sourced from PubChem (CID 101091125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).