(3E,5Z)-3-ethenylhepta-3,5-dien-2-imine

C9H13N — CID 89383702

IUPAC(3E,5Z)-3-ethenylhepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C(C=C)=C/C=C\C
InChIInChI=1S/C9H13N/c1-4-6-7-9(5-2)8(3)10/h4-7,10H,2H2,1,3H3/b6-4-,9-7+,10-8+
InChIKeyRORVJPQFLGLRRR-DILYWIELSA-N
MW135.21 g/mol
LogP2.71
Rot. Bonds3

About (3E,5Z)-3-ethenylhepta-3,5-dien-2-imine

(3E,5Z)-3-ethenylhepta-3,5-dien-2-imine (PubChem CID 89383702) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is (3E,5Z)-3-ethenylhepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3E,5Z)-3-ethenylhepta-3,5-dien-2-imine
PubChem CID89383702
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name(3E,5Z)-3-ethenylhepta-3,5-dien-2-imine
SMILES[H]/N=C(C)/C(C=C)=C/C=C\C
InChIInChI=1S/C9H13N/c1-4-6-7-9(5-2)8(3)10/h4-7,10H,2H2,1,3H3/b6-4-,9-7+,10-8+
InChIKeyRORVJPQFLGLRRR-DILYWIELSA-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 (3E,5Z)-3-ethenylhepta-3,5-dien-2-imine?
The IUPAC name of (3E,5Z)-3-ethenylhepta-3,5-dien-2-imine (CID 89383702) is (3E,5Z)-3-ethenylhepta-3,5-dien-2-imine.
What is the SMILES notation for (3E,5Z)-3-ethenylhepta-3,5-dien-2-imine?
The canonical SMILES for (3E,5Z)-3-ethenylhepta-3,5-dien-2-imine is [H]/N=C(C)/C(C=C)=C/C=C\C.
What is the InChIKey of (3E,5Z)-3-ethenylhepta-3,5-dien-2-imine?
The InChIKey is RORVJPQFLGLRRR-DILYWIELSA-N. The full InChI is InChI=1S/C9H13N/c1-4-6-7-9(5-2)8(3)10/h4-7,10H,2H2,1,3H3/b6-4-,9-7+,10-8+.
What are the key properties of (3E,5Z)-3-ethenylhepta-3,5-dien-2-imine?
(3E,5Z)-3-ethenylhepta-3,5-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 (3E,5Z)-3-ethenylhepta-3,5-dien-2-imine is sourced from PubChem (CID 89383702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).