(3Z,5Z)-5-methylnona-3,5-dienenitrile

C10H15N — CID 143786949

IUPAC(3Z,5Z)-5-methylnona-3,5-dienenitrile
SMILESCCC/C=C(C)\C=C/CC#N
InChIInChI=1S/C10H15N/c1-3-4-7-10(2)8-5-6-9-11/h5,7-8H,3-4,6H2,1-2H3/b8-5-,10-7-
InChIKeyAGUXRSZRRDMKBR-OUOSTHCTSA-N
MW149.24 g/mol
LogP3.20
Rot. Bonds4

About (3Z,5Z)-5-methylnona-3,5-dienenitrile

(3Z,5Z)-5-methylnona-3,5-dienenitrile (PubChem CID 143786949) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is (3Z,5Z)-5-methylnona-3,5-dienenitrile.

Molecular Properties

Compound Name(3Z,5Z)-5-methylnona-3,5-dienenitrile
PubChem CID143786949
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name(3Z,5Z)-5-methylnona-3,5-dienenitrile
SMILESCCC/C=C(C)\C=C/CC#N
InChIInChI=1S/C10H15N/c1-3-4-7-10(2)8-5-6-9-11/h5,7-8H,3-4,6H2,1-2H3/b8-5-,10-7-
InChIKeyAGUXRSZRRDMKBR-OUOSTHCTSA-N
XLogP3.20
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-5-methylnona-3,5-dienenitrile?
The IUPAC name of (3Z,5Z)-5-methylnona-3,5-dienenitrile (CID 143786949) is (3Z,5Z)-5-methylnona-3,5-dienenitrile.
What is the SMILES notation for (3Z,5Z)-5-methylnona-3,5-dienenitrile?
The canonical SMILES for (3Z,5Z)-5-methylnona-3,5-dienenitrile is CCC/C=C(C)\C=C/CC#N.
What is the InChIKey of (3Z,5Z)-5-methylnona-3,5-dienenitrile?
The InChIKey is AGUXRSZRRDMKBR-OUOSTHCTSA-N. The full InChI is InChI=1S/C10H15N/c1-3-4-7-10(2)8-5-6-9-11/h5,7-8H,3-4,6H2,1-2H3/b8-5-,10-7-.
What are the key properties of (3Z,5Z)-5-methylnona-3,5-dienenitrile?
(3Z,5Z)-5-methylnona-3,5-dienenitrile has a molecular weight of 149.24 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-5-methylnona-3,5-dienenitrile is sourced from PubChem (CID 143786949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).