5-N-prop-2-enylidenepent-4-ene-2,5-diimine

C8H12N2 — CID 123205122

IUPAC5-N-prop-2-enylidenepent-4-ene-2,5-diimine
SMILES[H]/N=C(\C)CC=C/N=C/C=C
InChIInChI=1S/C8H12N2/c1-3-6-10-7-4-5-8(2)9/h3-4,6-7,9H,1,5H2,2H3/b7-4?,9-8+,10-6+
InChIKeyHAVAERPPMQGNBA-RQHBUYGTSA-N
MW136.20 g/mol
LogP2.19
Rot. Bonds4

About 5-N-prop-2-enylidenepent-4-ene-2,5-diimine

5-N-prop-2-enylidenepent-4-ene-2,5-diimine (PubChem CID 123205122) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 5-N-prop-2-enylidenepent-4-ene-2,5-diimine.

Molecular Properties

Compound Name5-N-prop-2-enylidenepent-4-ene-2,5-diimine
PubChem CID123205122
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name5-N-prop-2-enylidenepent-4-ene-2,5-diimine
SMILES[H]/N=C(\C)CC=C/N=C/C=C
InChIInChI=1S/C8H12N2/c1-3-6-10-7-4-5-8(2)9/h3-4,6-7,9H,1,5H2,2H3/b7-4?,9-8+,10-6+
InChIKeyHAVAERPPMQGNBA-RQHBUYGTSA-N
XLogP2.19
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Iminopyridine
CID 21297554
Pyridine-3,4-diimine
CID 22022782
Pyrrol-3-imine
CID 90911343
4-Azanonatriene
CID 129782426
N-propan-2-yl-4H-pyridin-3-imine
CID 19384805
N-methyl-3H-pyridin-4-imine
CID 20520378
N-propyl-3H-pyridin-4-imine
CID 20520388
4H-pyridin-3-imine
CID 21297587
N-methyl-4H-pyridin-3-imine
CID 67496115
N-butyl-4H-pyridin-3-imine
CID 67808449
2-Methyl-1,5-diazocine
CID 76548114
(Z)-3-but-1-en-2-yliminoprop-1-en-1-amine
CID 88268688

Frequently Asked Questions

What is the IUPAC name of 5-N-prop-2-enylidenepent-4-ene-2,5-diimine?
The IUPAC name of 5-N-prop-2-enylidenepent-4-ene-2,5-diimine (CID 123205122) is 5-N-prop-2-enylidenepent-4-ene-2,5-diimine.
What is the SMILES notation for 5-N-prop-2-enylidenepent-4-ene-2,5-diimine?
The canonical SMILES for 5-N-prop-2-enylidenepent-4-ene-2,5-diimine is [H]/N=C(\C)CC=C/N=C/C=C.
What is the InChIKey of 5-N-prop-2-enylidenepent-4-ene-2,5-diimine?
The InChIKey is HAVAERPPMQGNBA-RQHBUYGTSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-6-10-7-4-5-8(2)9/h3-4,6-7,9H,1,5H2,2H3/b7-4?,9-8+,10-6+.
What are the key properties of 5-N-prop-2-enylidenepent-4-ene-2,5-diimine?
5-N-prop-2-enylidenepent-4-ene-2,5-diimine has a molecular weight of 136.20 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-prop-2-enylidenepent-4-ene-2,5-diimine is sourced from PubChem (CID 123205122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).