1-(4H-imidazol-2-yl)-N-[(Z)-prop-1-enyl]methanimine

C7H9N3 — CID 118970757

IUPAC1-(4H-imidazol-2-yl)-N-[(Z)-prop-1-enyl]methanimine
SMILESC/C=C\N=C\C1=NCC=N1
InChIInChI=1S/C7H9N3/c1-2-3-8-6-7-9-4-5-10-7/h2-4,6H,5H2,1H3/b3-2-,8-6+
InChIKeySALJIYMDFBKKQT-LGVURTOVSA-N
MW135.17 g/mol
LogP1.07
Rot. Bonds2

About 1-(4H-imidazol-2-yl)-N-[(Z)-prop-1-enyl]methanimine

1-(4H-imidazol-2-yl)-N-[(Z)-prop-1-enyl]methanimine (PubChem CID 118970757) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is 1-(4H-imidazol-2-yl)-N-[(Z)-prop-1-enyl]methanimine.

Molecular Properties

Compound Name1-(4H-imidazol-2-yl)-N-[(Z)-prop-1-enyl]methanimine
PubChem CID118970757
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name1-(4H-imidazol-2-yl)-N-[(Z)-prop-1-enyl]methanimine
SMILESC/C=C\N=C\C1=NCC=N1
InChIInChI=1S/C7H9N3/c1-2-3-8-6-7-9-4-5-10-7/h2-4,6H,5H2,1H3/b3-2-,8-6+
InChIKeySALJIYMDFBKKQT-LGVURTOVSA-N
XLogP1.07
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(4H-imidazol-2-yl)-N-[(Z)-prop-1-enyl]methanimine 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

propane;2H-pyrimidin-2-ide;tungsten(2+)
CID 57762484
propane;2H-pyrimidin-2-ide;yttrium
CID 58547320
N'-ethenyl-N-prop-2-enylidenemethanimidamide
CID 88408958
N-methylidene-N'-[(Z)-prop-1-enyl]ethanimidamide
CID 88586058
N-ethylidene-N'-[(Z)-prop-1-enyl]methanimidamide
CID 88925224
N'-[(Z)-but-1-enyl]-N-ethylidenemethanimidamide
CID 88996354
N'-methyl-N-prop-2-enylideneethanimidamide
CID 89331290
N-methyl-N'-[(Z)-prop-1-enyl]ethane-1,2-diimine
CID 89847248
N-methylidene-N'-prop-1-enylmethanimidamide
CID 90936387
N-methyl-N'-prop-1-enylethane-1,2-diimine
CID 90952594
N'-ethenyl-N-prop-1-enylidenemethanimidamide
CID 91016093
N'-ethenyl-N-ethylideneethanimidamide
CID 117650339

Frequently Asked Questions

What is the IUPAC name of 1-(4H-imidazol-2-yl)-N-[(Z)-prop-1-enyl]methanimine?
The IUPAC name of 1-(4H-imidazol-2-yl)-N-[(Z)-prop-1-enyl]methanimine (CID 118970757) is 1-(4H-imidazol-2-yl)-N-[(Z)-prop-1-enyl]methanimine.
What is the SMILES notation for 1-(4H-imidazol-2-yl)-N-[(Z)-prop-1-enyl]methanimine?
The canonical SMILES for 1-(4H-imidazol-2-yl)-N-[(Z)-prop-1-enyl]methanimine is C/C=C\N=C\C1=NCC=N1.
What is the InChIKey of 1-(4H-imidazol-2-yl)-N-[(Z)-prop-1-enyl]methanimine?
The InChIKey is SALJIYMDFBKKQT-LGVURTOVSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-3-8-6-7-9-4-5-10-7/h2-4,6H,5H2,1H3/b3-2-,8-6+.
What are the key properties of 1-(4H-imidazol-2-yl)-N-[(Z)-prop-1-enyl]methanimine?
1-(4H-imidazol-2-yl)-N-[(Z)-prop-1-enyl]methanimine has a molecular weight of 135.17 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4H-imidazol-2-yl)-N-[(Z)-prop-1-enyl]methanimine is sourced from PubChem (CID 118970757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).