(4Z,6Z)-3-methylideneocta-4,6-dien-2-imine

C9H13N — CID 88953849

IUPAC(4Z,6Z)-3-methylideneocta-4,6-dien-2-imine
SMILES[H]/N=C(\C)C(=C)/C=C\C=C/C
InChIInChI=1S/C9H13N/c1-4-5-6-7-8(2)9(3)10/h4-7,10H,2H2,1,3H3/b5-4-,7-6-,10-9+
InChIKeyQOYIVXURKRITKB-KVEPPTFVSA-N
MW135.21 g/mol
LogP2.71
Rot. Bonds3

About (4Z,6Z)-3-methylideneocta-4,6-dien-2-imine

(4Z,6Z)-3-methylideneocta-4,6-dien-2-imine (PubChem CID 88953849) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (4Z,6Z)-3-methylideneocta-4,6-dien-2-imine.

Molecular Properties

Compound Name(4Z,6Z)-3-methylideneocta-4,6-dien-2-imine
PubChem CID88953849
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(4Z,6Z)-3-methylideneocta-4,6-dien-2-imine
SMILES[H]/N=C(\C)C(=C)/C=C\C=C/C
InChIInChI=1S/C9H13N/c1-4-5-6-7-8(2)9(3)10/h4-7,10H,2H2,1,3H3/b5-4-,7-6-,10-9+
InChIKeyQOYIVXURKRITKB-KVEPPTFVSA-N
XLogP2.71
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.71
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 (4Z,6Z)-3-methylideneocta-4,6-dien-2-imine?
The IUPAC name of (4Z,6Z)-3-methylideneocta-4,6-dien-2-imine (CID 88953849) is (4Z,6Z)-3-methylideneocta-4,6-dien-2-imine.
What is the SMILES notation for (4Z,6Z)-3-methylideneocta-4,6-dien-2-imine?
The canonical SMILES for (4Z,6Z)-3-methylideneocta-4,6-dien-2-imine is [H]/N=C(\C)C(=C)/C=C\C=C/C.
What is the InChIKey of (4Z,6Z)-3-methylideneocta-4,6-dien-2-imine?
The InChIKey is QOYIVXURKRITKB-KVEPPTFVSA-N. The full InChI is InChI=1S/C9H13N/c1-4-5-6-7-8(2)9(3)10/h4-7,10H,2H2,1,3H3/b5-4-,7-6-,10-9+.
What are the key properties of (4Z,6Z)-3-methylideneocta-4,6-dien-2-imine?
(4Z,6Z)-3-methylideneocta-4,6-dien-2-imine has a molecular weight of 135.21 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-3-methylideneocta-4,6-dien-2-imine is sourced from PubChem (CID 88953849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).