deca-2,4-dienenitrile

C10H15N — CID 85442459

IUPACdeca-2,4-dienenitrile
SMILESCCCCCC=CC=CC#N
InChIInChI=1S/C10H15N/c1-2-3-4-5-6-7-8-9-10-11/h6-9H,2-5H2,1H3
InChIKeyOCCWUGKWQBJOSW-UHFFFAOYSA-N
MW149.24 g/mol
LogP3.20
Rot. Bonds5

About deca-2,4-dienenitrile

deca-2,4-dienenitrile (PubChem CID 85442459) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is deca-2,4-dienenitrile.

Molecular Properties

Compound Namedeca-2,4-dienenitrile
PubChem CID85442459
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Namedeca-2,4-dienenitrile
SMILESCCCCCC=CC=CC#N
InChIInChI=1S/C10H15N/c1-2-3-4-5-6-7-8-9-10-11/h6-9H,2-5H2,1H3
InChIKeyOCCWUGKWQBJOSW-UHFFFAOYSA-N
XLogP3.20
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 53.20
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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Frequently Asked Questions

What is the IUPAC name of deca-2,4-dienenitrile?
The IUPAC name of deca-2,4-dienenitrile (CID 85442459) is deca-2,4-dienenitrile.
What is the SMILES notation for deca-2,4-dienenitrile?
The canonical SMILES for deca-2,4-dienenitrile is CCCCCC=CC=CC#N.
What is the InChIKey of deca-2,4-dienenitrile?
The InChIKey is OCCWUGKWQBJOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N/c1-2-3-4-5-6-7-8-9-10-11/h6-9H,2-5H2,1H3.
What are the key properties of deca-2,4-dienenitrile?
deca-2,4-dienenitrile has a molecular weight of 149.24 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for deca-2,4-dienenitrile is sourced from PubChem (CID 85442459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).