pent-4-ene-1,3-diimine

C5H8N2 — CID 123891482

IUPACpent-4-ene-1,3-diimine
SMILES[H]/N=C(\C=C)C/C=N/[H]
InChIInChI=1S/C5H8N2/c1-2-5(7)3-4-6/h2,4,6-7H,1,3H2/b6-4+,7-5+
InChIKeyPTSFWPISWVDOIJ-YDFGWWAZSA-N
MW96.13 g/mol
LogP1.23
Rot. Bonds3

About pent-4-ene-1,3-diimine

pent-4-ene-1,3-diimine (PubChem CID 123891482) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is pent-4-ene-1,3-diimine.

Molecular Properties

Compound Namepent-4-ene-1,3-diimine
PubChem CID123891482
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Namepent-4-ene-1,3-diimine
SMILES[H]/N=C(\C=C)C/C=N/[H]
InChIInChI=1S/C5H8N2/c1-2-5(7)3-4-6/h2,4,6-7H,1,3H2/b6-4+,7-5+
InChIKeyPTSFWPISWVDOIJ-YDFGWWAZSA-N
XLogP1.23
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.23
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

Pent-4-en-1-imine
CID 12815218
(Z)-hex-2-ene-1,4-diimine
CID 88171021
1-N-methylpent-4-ene-1,3-diimine
CID 123174585
Hex-2-ene-1,4-diimine
CID 123511861
(Z)-hex-4-ene-1,3-diimine
CID 123673268
N-(2-iminoethyl)but-3-en-2-imine
CID 123835332
2-Methylpent-4-ene-1,3-diimine
CID 123861871
N-(1-iminopropan-2-yl)but-3-en-2-imine
CID 124000778
1-N-methylbut-3-ene-1,2-diimine
CID 124030246
1-N-ethylpent-4-ene-1,2-diimine
CID 138636708
Pent-1-ene-1,5-diimine
CID 139916501
Oct-7-ene-1,6-diimine
CID 140575832

Frequently Asked Questions

What is the IUPAC name of pent-4-ene-1,3-diimine?
The IUPAC name of pent-4-ene-1,3-diimine (CID 123891482) is pent-4-ene-1,3-diimine.
What is the SMILES notation for pent-4-ene-1,3-diimine?
The canonical SMILES for pent-4-ene-1,3-diimine is [H]/N=C(\C=C)C/C=N/[H].
What is the InChIKey of pent-4-ene-1,3-diimine?
The InChIKey is PTSFWPISWVDOIJ-YDFGWWAZSA-N. The full InChI is InChI=1S/C5H8N2/c1-2-5(7)3-4-6/h2,4,6-7H,1,3H2/b6-4+,7-5+.
What are the key properties of pent-4-ene-1,3-diimine?
pent-4-ene-1,3-diimine has a molecular weight of 96.13 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-ene-1,3-diimine is sourced from PubChem (CID 123891482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).