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

C6H10N2 — CID 123539152

IUPAC(Z)-hex-3-ene-2,5-diimine
SMILES[H]/N=C(C)/C=C\C(C)=N\[H]
InChIInChI=1S/C6H10N2/c1-5(7)3-4-6(2)8/h3-4,7-8H,1-2H3/b4-3-,7-5+,8-6+
InChIKeyPANONHNDNUKTSC-MBAZBMQQSA-N
MW110.16 g/mol
LogP1.62
Rot. Bonds2

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

(Z)-hex-3-ene-2,5-diimine (PubChem CID 123539152) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is (Z)-hex-3-ene-2,5-diimine.

Molecular Properties

Compound Name(Z)-hex-3-ene-2,5-diimine
PubChem CID123539152
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name(Z)-hex-3-ene-2,5-diimine
SMILES[H]/N=C(C)/C=C\C(C)=N\[H]
InChIInChI=1S/C6H10N2/c1-5(7)3-4-6(2)8/h3-4,7-8H,1-2H3/b4-3-,7-5+,8-6+
InChIKeyPANONHNDNUKTSC-MBAZBMQQSA-N
XLogP1.62
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-hex-3-ene-2,5-diimine?
The IUPAC name of (Z)-hex-3-ene-2,5-diimine (CID 123539152) is (Z)-hex-3-ene-2,5-diimine.
What is the SMILES notation for (Z)-hex-3-ene-2,5-diimine?
The canonical SMILES for (Z)-hex-3-ene-2,5-diimine is [H]/N=C(C)/C=C\C(C)=N\[H].
What is the InChIKey of (Z)-hex-3-ene-2,5-diimine?
The InChIKey is PANONHNDNUKTSC-MBAZBMQQSA-N. The full InChI is InChI=1S/C6H10N2/c1-5(7)3-4-6(2)8/h3-4,7-8H,1-2H3/b4-3-,7-5+,8-6+.
What are the key properties of (Z)-hex-3-ene-2,5-diimine?
(Z)-hex-3-ene-2,5-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-hex-3-ene-2,5-diimine is sourced from PubChem (CID 123539152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).