2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine

C8H12N2 — CID 142072925

IUPAC2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine
SMILESC=C/N=C(C)/C=N/C=C\C
InChIInChI=1S/C8H12N2/c1-4-6-9-7-8(3)10-5-2/h4-7H,2H2,1,3H3/b6-4-,9-7+,10-8+
InChIKeyABOXKWLRVYOFJW-DILYWIELSA-N
MW136.20 g/mol
LogP2.20
Rot. Bonds3

About 2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine

2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine (PubChem CID 142072925) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine.

Molecular Properties

Compound Name2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine
PubChem CID142072925
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine
SMILESC=C/N=C(C)/C=N/C=C\C
InChIInChI=1S/C8H12N2/c1-4-6-9-7-8(3)10-5-2/h4-7H,2H2,1,3H3/b6-4-,9-7+,10-8+
InChIKeyABOXKWLRVYOFJW-DILYWIELSA-N
XLogP2.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-N-methyl-2-N-[(Z)-prop-1-enyl]propane-1,2-diimine
CID 118671214
(2E)-2-ethylidene-N-[(Z)-prop-1-enyl]pent-4-en-1-imine
CID 143654384
(E)-1-[(E)-prop-1-enyl]iminobut-2-en-2-amine
CID 174251744
butane;ethane;N-ethenylbut-3-en-2-imine
CID 145149803
3-N,4-N-bis[(Z)-prop-1-enyl]hexa-1,5-diene-3,4-diimine
CID 146342540
(Z)-N-[(E)-prop-1-enyl]pent-3-en-2-imine
CID 143911032
3-[[(Z)-prop-1-enyl]iminomethyl]pent-4-en-2-one
CID 143284584
N-[(Z)-prop-1-enyl]ethanimine
CID 59954783
ethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine
CID 156743916
(5Z)-N-ethenyl-2-methylhepta-2,5-dien-4-imine
CID 143053895
(Z,1E)-N-ethenyl-1-hydrazinylidenepent-3-en-2-imine
CID 145103734
(Z)-4-[(Z)-prop-1-enyl]iminopent-2-en-2-amine
CID 88874705

Frequently Asked Questions

What is the IUPAC name of 2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine?
The IUPAC name of 2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine (CID 142072925) is 2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine.
What is the SMILES notation for 2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine?
The canonical SMILES for 2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine is C=C/N=C(C)/C=N/C=C\C.
What is the InChIKey of 2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine?
The InChIKey is ABOXKWLRVYOFJW-DILYWIELSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-6-9-7-8(3)10-5-2/h4-7H,2H2,1,3H3/b6-4-,9-7+,10-8+.
What are the key properties of 2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine?
2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine has a molecular weight of 136.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethenyl-1-N-[(Z)-prop-1-enyl]propane-1,2-diimine is sourced from PubChem (CID 142072925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).