3-ethenylhepta-3,5-diene-1,2-diimine

C9H12N2 — CID 123395606

IUPAC3-ethenylhepta-3,5-diene-1,2-diimine
SMILES[H]/N=C(\C=N\[H])C(C=C)=CC=CC
InChIInChI=1S/C9H12N2/c1-3-5-6-8(4-2)9(11)7-10/h3-7,10-11H,2H2,1H3/b5-3?,8-6?,10-7+,11-9+
InChIKeyFXGPDKGWBCXYPX-RSYREBSQSA-N
MW148.21 g/mol
LogP2.34
Rot. Bonds4

About 3-ethenylhepta-3,5-diene-1,2-diimine

3-ethenylhepta-3,5-diene-1,2-diimine (PubChem CID 123395606) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 3-ethenylhepta-3,5-diene-1,2-diimine.

Molecular Properties

Compound Name3-ethenylhepta-3,5-diene-1,2-diimine
PubChem CID123395606
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name3-ethenylhepta-3,5-diene-1,2-diimine
SMILES[H]/N=C(\C=N\[H])C(C=C)=CC=CC
InChIInChI=1S/C9H12N2/c1-3-5-6-8(4-2)9(11)7-10/h3-7,10-11H,2H2,1H3/b5-3?,8-6?,10-7+,11-9+
InChIKeyFXGPDKGWBCXYPX-RSYREBSQSA-N
XLogP2.34
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2Z,4Z)-2-ethenylhexa-2,4-dien-1-imine
CID 156799789
(2Z)-2-ethylidenepent-4-ene-1,3-diimine
CID 123930405
(3E,5Z)-1-imino-3-methanimidoylhepta-3,5-dien-2-one
CID 156556155
(2Z,4Z)-2-(1-methoxyethenyl)hexa-2,4-dien-1-imine
CID 134286835
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594
(2Z,4E)-2,5-dimethylocta-2,4,7-triene-1,6-diimine
CID 156548781
(3Z,5E,6E,8Z)-6-ethenyl-5-ethylidenedeca-1,3,6,8-tetraene
CID 142285656
(3Z,7E,9Z)-7-ethenyl-2-methyl-5,6-dimethylideneundeca-1,3,7,9-tetraene
CID 144553948
(2Z,4E,6E,8Z)-6-ethenyl-4-methyl-5-[(Z)-prop-1-enyl]deca-2,4,6,8-tetraene
CID 143312341
(3E,5Z)-3-ethenyl-1,1-difluorohepta-3,5-dien-2-one
CID 145079056
ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470
(3E,5Z)-3-methylsulfanylhepta-1,3,5-triene
CID 89470385

Frequently Asked Questions

What is the IUPAC name of 3-ethenylhepta-3,5-diene-1,2-diimine?
The IUPAC name of 3-ethenylhepta-3,5-diene-1,2-diimine (CID 123395606) is 3-ethenylhepta-3,5-diene-1,2-diimine.
What is the SMILES notation for 3-ethenylhepta-3,5-diene-1,2-diimine?
The canonical SMILES for 3-ethenylhepta-3,5-diene-1,2-diimine is [H]/N=C(\C=N\[H])C(C=C)=CC=CC.
What is the InChIKey of 3-ethenylhepta-3,5-diene-1,2-diimine?
The InChIKey is FXGPDKGWBCXYPX-RSYREBSQSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-5-6-8(4-2)9(11)7-10/h3-7,10-11H,2H2,1H3/b5-3?,8-6?,10-7+,11-9+.
What are the key properties of 3-ethenylhepta-3,5-diene-1,2-diimine?
3-ethenylhepta-3,5-diene-1,2-diimine has a molecular weight of 148.21 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylhepta-3,5-diene-1,2-diimine is sourced from PubChem (CID 123395606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).