(Z)-hept-3-ene-2,5-diimine

C7H12N2 — CID 143456495

IUPAC(Z)-hept-3-ene-2,5-diimine
SMILES[H]/N=C(C)/C=C\C(CC)=N\[H]
InChIInChI=1S/C7H12N2/c1-3-7(9)5-4-6(2)8/h4-5,8-9H,3H2,1-2H3/b5-4-,8-6+,9-7+
InChIKeyPNHONGXXXMNVAX-YJTPIVBQSA-N
MW124.19 g/mol
LogP2.01
Rot. Bonds3

About (Z)-hept-3-ene-2,5-diimine

(Z)-hept-3-ene-2,5-diimine (PubChem CID 143456495) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is (Z)-hept-3-ene-2,5-diimine.

Molecular Properties

Compound Name(Z)-hept-3-ene-2,5-diimine
PubChem CID143456495
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name(Z)-hept-3-ene-2,5-diimine
SMILES[H]/N=C(C)/C=C\C(CC)=N\[H]
InChIInChI=1S/C7H12N2/c1-3-7(9)5-4-6(2)8/h4-5,8-9H,3H2,1-2H3/b5-4-,8-6+,9-7+
InChIKeyPNHONGXXXMNVAX-YJTPIVBQSA-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_1', 'substructure': 'N/A'}

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Related Compounds

(E)-5-methylhept-4-en-3-imine
CID 123846053
6-iminoocta-2,4-dienal
CID 142648191
(Z)-4-iminopent-2-en-1-amine
CID 142289238
(3Z,5E)-5-bromohepta-3,5-dien-2-imine
CID 156548743
(Z,5E)-5-ethylidenehept-3-ene-2,6-diimine
CID 123707511
(Z)-4-imino-N-methylpent-2-en-1-amine
CID 145282389
N-hexyl-4-iminopent-2-enamide
CID 123662070
(Z)-4-(imino-λ3-iodanyl)but-3-en-2-imine
CID 146788075
(Z)-4-N-propan-2-ylidenebut-3-ene-2,4-diimine
CID 130413517
(3Z,5Z)-4-methylhepta-3,5-dien-2-imine
CID 89477351
heptane-3,5-diimine
CID 142023911
N-methyl-N-(6-methylidene-3-methyliminoocta-1,4-dien-2-yl)ethanimidamide
CID 123952851

Frequently Asked Questions

What is the IUPAC name of (Z)-hept-3-ene-2,5-diimine?
The IUPAC name of (Z)-hept-3-ene-2,5-diimine (CID 143456495) is (Z)-hept-3-ene-2,5-diimine.
What is the SMILES notation for (Z)-hept-3-ene-2,5-diimine?
The canonical SMILES for (Z)-hept-3-ene-2,5-diimine is [H]/N=C(C)/C=C\C(CC)=N\[H].
What is the InChIKey of (Z)-hept-3-ene-2,5-diimine?
The InChIKey is PNHONGXXXMNVAX-YJTPIVBQSA-N. The full InChI is InChI=1S/C7H12N2/c1-3-7(9)5-4-6(2)8/h4-5,8-9H,3H2,1-2H3/b5-4-,8-6+,9-7+.
What are the key properties of (Z)-hept-3-ene-2,5-diimine?
(Z)-hept-3-ene-2,5-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-3-ene-2,5-diimine is sourced from PubChem (CID 143456495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).