nona-2,4-dienenitrile

C9H13N — CID 71402654

IUPACnona-2,4-dienenitrile
SMILESCCCCC=CC=CC#N
InChIInChI=1S/C9H13N/c1-2-3-4-5-6-7-8-9-10/h5-8H,2-4H2,1H3
InChIKeyKNKLDSOWHQCJAH-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.81
Rot. Bonds4

About nona-2,4-dienenitrile

nona-2,4-dienenitrile (PubChem CID 71402654) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is nona-2,4-dienenitrile.

Molecular Properties

Compound Namenona-2,4-dienenitrile
PubChem CID71402654
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Namenona-2,4-dienenitrile
SMILESCCCCC=CC=CC#N
InChIInChI=1S/C9H13N/c1-2-3-4-5-6-7-8-9-10/h5-8H,2-4H2,1H3
InChIKeyKNKLDSOWHQCJAH-UHFFFAOYSA-N
XLogP2.81
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,6-Nonadienenitrile
CID 105392
2-Nonenenitrile
CID 6438193
(E)-non-2-enenitrile
CID 5363118
(2E,4E,6E,9E)-trideca-2,4,6,9-tetraenenitrile
CID 57391169
(2e)-1-Cyano-2-heptene
CID 13643072
(E)-hept-2-enenitrile
CID 6187413
3-(Cyclopent-1-en-1-yl)prop-2-enenitrile
CID 135001707
Non-2-enenitrile
CID 119859
Nona-2-6-dienenitrile
CID 6504492
(2E)-2-octenenitrile
CID 12355139
(E)-hex-2-enenitrile
CID 11126184
(Z)-hept-2-enenitrile
CID 87361228

Frequently Asked Questions

What is the IUPAC name of nona-2,4-dienenitrile?
The IUPAC name of nona-2,4-dienenitrile (CID 71402654) is nona-2,4-dienenitrile.
What is the SMILES notation for nona-2,4-dienenitrile?
The canonical SMILES for nona-2,4-dienenitrile is CCCCC=CC=CC#N.
What is the InChIKey of nona-2,4-dienenitrile?
The InChIKey is KNKLDSOWHQCJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-2-3-4-5-6-7-8-9-10/h5-8H,2-4H2,1H3.
What are the key properties of nona-2,4-dienenitrile?
nona-2,4-dienenitrile has a molecular weight of 135.21 g/mol, XLogP of 2.81, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for nona-2,4-dienenitrile is sourced from PubChem (CID 71402654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).