(2Z,5E)-6-methyl-4-methylidenenona-2,5-dien-1-imine

C11H17N — CID 138512028

IUPAC(2Z,5E)-6-methyl-4-methylidenenona-2,5-dien-1-imine
SMILES[H]/N=C/C=C\C(=C)/C=C(\C)CCC
InChIInChI=1S/C11H17N/c1-4-6-10(2)9-11(3)7-5-8-12/h5,7-9,12H,3-4,6H2,1-2H3/b7-5-,10-9+,12-8+
InChIKeyZSPPGIOQZKIJNP-GMTLOTGVSA-N
MW163.26 g/mol
LogP3.49
Rot. Bonds5

About (2Z,5E)-6-methyl-4-methylidenenona-2,5-dien-1-imine

(2Z,5E)-6-methyl-4-methylidenenona-2,5-dien-1-imine (PubChem CID 138512028) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is (2Z,5E)-6-methyl-4-methylidenenona-2,5-dien-1-imine.

Molecular Properties

Compound Name(2Z,5E)-6-methyl-4-methylidenenona-2,5-dien-1-imine
PubChem CID138512028
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name(2Z,5E)-6-methyl-4-methylidenenona-2,5-dien-1-imine
SMILES[H]/N=C/C=C\C(=C)/C=C(\C)CCC
InChIInChI=1S/C11H17N/c1-4-6-10(2)9-11(3)7-5-8-12/h5,7-9,12H,3-4,6H2,1-2H3/b7-5-,10-9+,12-8+
InChIKeyZSPPGIOQZKIJNP-GMTLOTGVSA-N
XLogP3.49
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-6-methyl-4-methylidenenona-2,5-dien-1-imine?
The IUPAC name of (2Z,5E)-6-methyl-4-methylidenenona-2,5-dien-1-imine (CID 138512028) is (2Z,5E)-6-methyl-4-methylidenenona-2,5-dien-1-imine.
What is the SMILES notation for (2Z,5E)-6-methyl-4-methylidenenona-2,5-dien-1-imine?
The canonical SMILES for (2Z,5E)-6-methyl-4-methylidenenona-2,5-dien-1-imine is [H]/N=C/C=C\C(=C)/C=C(\C)CCC.
What is the InChIKey of (2Z,5E)-6-methyl-4-methylidenenona-2,5-dien-1-imine?
The InChIKey is ZSPPGIOQZKIJNP-GMTLOTGVSA-N. The full InChI is InChI=1S/C11H17N/c1-4-6-10(2)9-11(3)7-5-8-12/h5,7-9,12H,3-4,6H2,1-2H3/b7-5-,10-9+,12-8+.
What are the key properties of (2Z,5E)-6-methyl-4-methylidenenona-2,5-dien-1-imine?
(2Z,5E)-6-methyl-4-methylidenenona-2,5-dien-1-imine has a molecular weight of 163.26 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-6-methyl-4-methylidenenona-2,5-dien-1-imine is sourced from PubChem (CID 138512028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).