N-(prop-2-enylideneamino)prop-2-en-1-imine

C6H8N2 — CID 88828746

IUPACN-(prop-2-enylideneamino)prop-2-en-1-imine
SMILESC=CC=NN=CC=C
InChIInChI=1S/C6H8N2/c1-3-5-7-8-6-4-2/h3-6H,1-2H2
InChIKeyZPBDJEQIHLVIIF-UHFFFAOYSA-N
MW108.14 g/mol
LogP1.41
Rot. Bonds3

About N-(prop-2-enylideneamino)prop-2-en-1-imine

N-(prop-2-enylideneamino)prop-2-en-1-imine (PubChem CID 88828746) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is N-(prop-2-enylideneamino)prop-2-en-1-imine.

Molecular Properties

Compound NameN-(prop-2-enylideneamino)prop-2-en-1-imine
PubChem CID88828746
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC NameN-(prop-2-enylideneamino)prop-2-en-1-imine
SMILESC=CC=NN=CC=C
InChIInChI=1S/C6H8N2/c1-3-5-7-8-6-4-2/h3-6H,1-2H2
InChIKeyZPBDJEQIHLVIIF-UHFFFAOYSA-N
XLogP1.41
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(prop-2-enylideneamino)prop-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Z)-N-(ethenyldiazenyl)prop-2-en-1-imine
CID 88912393
(Z)-N-(ethyldiazenyl)prop-2-en-1-imine
CID 143328990
1-(methylideneamino)-2-(prop-2-enylideneamino)guanidine
CID 140931948
(prop-2-enylideneamino)methylidenetungsten
CID 58828847
ethane;ethene;N-ethenylprop-2-en-1-imine
CID 145208086
N-hydroperoxyprop-2-en-1-imine
CID 173056422
buta-1,3-diene
CID 7845
prop-2-enylidenecarbamic acid
CID 175459397
N-[5-(prop-2-enylideneamino)octa-1,3,5,7-tetraen-4-yl]prop-2-en-1-imine
CID 175480907
ethane;N'-methyl-N-prop-2-enylidenemethanimidamide
CID 143794244
N-prop-2-enyl-N-(prop-2-enylideneamino)prop-2-en-1-amine
CID 534315
buta-1,3-diene;zirconium
CID 173105589

Frequently Asked Questions

What is the IUPAC name of N-(prop-2-enylideneamino)prop-2-en-1-imine?
The IUPAC name of N-(prop-2-enylideneamino)prop-2-en-1-imine (CID 88828746) is N-(prop-2-enylideneamino)prop-2-en-1-imine.
What is the SMILES notation for N-(prop-2-enylideneamino)prop-2-en-1-imine?
The canonical SMILES for N-(prop-2-enylideneamino)prop-2-en-1-imine is C=CC=NN=CC=C.
What is the InChIKey of N-(prop-2-enylideneamino)prop-2-en-1-imine?
The InChIKey is ZPBDJEQIHLVIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c1-3-5-7-8-6-4-2/h3-6H,1-2H2.
What are the key properties of N-(prop-2-enylideneamino)prop-2-en-1-imine?
N-(prop-2-enylideneamino)prop-2-en-1-imine has a molecular weight of 108.14 g/mol, XLogP of 1.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(prop-2-enylideneamino)prop-2-en-1-imine is sourced from PubChem (CID 88828746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).