(Z)-hept-5-ene-3,4-diimine

C7H12N2 — CID 123802177

IUPAC(Z)-hept-5-ene-3,4-diimine
SMILES[H]/N=C(/C=C\C)C(\CC)=N\[H]
InChIInChI=1S/C7H12N2/c1-3-5-7(9)6(8)4-2/h3,5,8-9H,4H2,1-2H3/b5-3-,8-6+,9-7-
InChIKeyHWSWBSSDZLJGCT-UBPHEOMNSA-N
MW124.19 g/mol
LogP2.01
Rot. Bonds3

About (Z)-hept-5-ene-3,4-diimine

(Z)-hept-5-ene-3,4-diimine (PubChem CID 123802177) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (Z)-hept-5-ene-3,4-diimine.

Molecular Properties

Compound Name(Z)-hept-5-ene-3,4-diimine
PubChem CID123802177
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(Z)-hept-5-ene-3,4-diimine
SMILES[H]/N=C(/C=C\C)C(\CC)=N\[H]
InChIInChI=1S/C7H12N2/c1-3-5-7(9)6(8)4-2/h3,5,8-9H,4H2,1-2H3/b5-3-,8-6+,9-7-
InChIKeyHWSWBSSDZLJGCT-UBPHEOMNSA-N
XLogP2.01
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-ethylidenehept-5-en-3-imine
CID 123855505
hex-1-ene-3,4-diimine
CID 123827973
(2Z,6Z,8Z)-8-ethyldeca-2,6,8-triene-4,5-diimine
CID 156548687
ethene;(Z)-3-imino-5-methylideneoct-6-en-2-one
CID 145093202
4-ethyl-5-fluoroocta-4,6-diene-1,3-diimine
CID 123282351
4-ethylhept-4-en-3-imine
CID 15439670
(Z)-6-methylhept-2-en-4-imine
CID 91390862
CID 90783980
CID 90783980
(3Z,5Z)-4-methylhepta-3,5-dien-2-imine
CID 89477351
N-[(Z)-prop-1-enyl]iminopropanimidamide
CID 144524020
(E)-2-imino-3-methylpent-3-en-1-amine
CID 170222558
(Z)-but-2-enimidoyl cyanide
CID 123741154

Frequently Asked Questions

What is the IUPAC name of (Z)-hept-5-ene-3,4-diimine?
The IUPAC name of (Z)-hept-5-ene-3,4-diimine (CID 123802177) is (Z)-hept-5-ene-3,4-diimine.
What is the SMILES notation for (Z)-hept-5-ene-3,4-diimine?
The canonical SMILES for (Z)-hept-5-ene-3,4-diimine is [H]/N=C(/C=C\C)C(\CC)=N\[H].
What is the InChIKey of (Z)-hept-5-ene-3,4-diimine?
The InChIKey is HWSWBSSDZLJGCT-UBPHEOMNSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-5-7(9)6(8)4-2/h3,5,8-9H,4H2,1-2H3/b5-3-,8-6+,9-7-.
What are the key properties of (Z)-hept-5-ene-3,4-diimine?
(Z)-hept-5-ene-3,4-diimine has a molecular weight of 124.19 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hept-5-ene-3,4-diimine is sourced from PubChem (CID 123802177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).