1-N-ethenylpropane-1,2-diimine

C5H8N2 — CID 123361619

IUPAC1-N-ethenylpropane-1,2-diimine
SMILES[H]/N=C(C)/C=N/C=C
InChIInChI=1S/C5H8N2/c1-3-7-4-5(2)6/h3-4,6H,1H2,2H3/b6-5+,7-4+
InChIKeyDRVZXUHKXMRXFO-HVUXDCMCSA-N
MW96.13 g/mol
LogP1.24
Rot. Bonds2

About 1-N-ethenylpropane-1,2-diimine

1-N-ethenylpropane-1,2-diimine (PubChem CID 123361619) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 1-N-ethenylpropane-1,2-diimine.

Molecular Properties

Compound Name1-N-ethenylpropane-1,2-diimine
PubChem CID123361619
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name1-N-ethenylpropane-1,2-diimine
SMILES[H]/N=C(C)/C=N/C=C
InChIInChI=1S/C5H8N2/c1-3-7-4-5(2)6/h3-4,6H,1H2,2H3/b6-5+,7-4+
InChIKeyDRVZXUHKXMRXFO-HVUXDCMCSA-N
XLogP1.24
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 51.24
H-Bond Donors ≤ 51
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 1-N-ethenylpropane-1,2-diimine?
The IUPAC name of 1-N-ethenylpropane-1,2-diimine (CID 123361619) is 1-N-ethenylpropane-1,2-diimine.
What is the SMILES notation for 1-N-ethenylpropane-1,2-diimine?
The canonical SMILES for 1-N-ethenylpropane-1,2-diimine is [H]/N=C(C)/C=N/C=C.
What is the InChIKey of 1-N-ethenylpropane-1,2-diimine?
The InChIKey is DRVZXUHKXMRXFO-HVUXDCMCSA-N. The full InChI is InChI=1S/C5H8N2/c1-3-7-4-5(2)6/h3-4,6H,1H2,2H3/b6-5+,7-4+.
What are the key properties of 1-N-ethenylpropane-1,2-diimine?
1-N-ethenylpropane-1,2-diimine has a molecular weight of 96.13 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethenylpropane-1,2-diimine is sourced from PubChem (CID 123361619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).