(Z)-3-(4H-imidazol-2-yl)-N-methylprop-2-en-1-imine

C7H9N3 — CID 118970756

IUPAC(Z)-3-(4H-imidazol-2-yl)-N-methylprop-2-en-1-imine
SMILESC/N=C/C=C\C1=NCC=N1
InChIInChI=1S/C7H9N3/c1-8-4-2-3-7-9-5-6-10-7/h2-5H,6H2,1H3/b3-2-,8-4+
InChIKeyJTLORIMAXBUTEB-SOBRUKQLSA-N
MW135.17 g/mol
LogP0.73
Rot. Bonds2

About (Z)-3-(4H-imidazol-2-yl)-N-methylprop-2-en-1-imine

(Z)-3-(4H-imidazol-2-yl)-N-methylprop-2-en-1-imine (PubChem CID 118970756) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is (Z)-3-(4H-imidazol-2-yl)-N-methylprop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-3-(4H-imidazol-2-yl)-N-methylprop-2-en-1-imine
PubChem CID118970756
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name(Z)-3-(4H-imidazol-2-yl)-N-methylprop-2-en-1-imine
SMILESC/N=C/C=C\C1=NCC=N1
InChIInChI=1S/C7H9N3/c1-8-4-2-3-7-9-5-6-10-7/h2-5H,6H2,1H3/b3-2-,8-4+
InChIKeyJTLORIMAXBUTEB-SOBRUKQLSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-2-pyrrolimin
CID 123476235
N-(2-fluoroprop-2-enylidene)-N'-methylprop-2-enimidamide
CID 146416961
N-methyl-N-(pyrrol-2-ylideneamino)methanamine
CID 90732869
2-Propenimidamide, N-2-propenylidene-N'-2-propenyl-
CID 564453
2-ethenyl-4H-imidazole
CID 54284178
N,N-dimethyl-1-(pyrrol-2-ylideneamino)methanamine
CID 57267648
N-(2H-pyrrol-5-yl)methanimine
CID 57894764
2-[(Z)-prop-1-enyl]-2H-imidazole
CID 67184716
2-prop-1-enyl-2H-imidazole
CID 67184717
4H-1,3-diazepine
CID 67512632
N-ethylidene-N'-prop-2-enylmethanimidamide
CID 88952463
N'-ethyl-N-prop-2-enylidenemethanimidamide
CID 89196565

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4H-imidazol-2-yl)-N-methylprop-2-en-1-imine?
The IUPAC name of (Z)-3-(4H-imidazol-2-yl)-N-methylprop-2-en-1-imine (CID 118970756) is (Z)-3-(4H-imidazol-2-yl)-N-methylprop-2-en-1-imine.
What is the SMILES notation for (Z)-3-(4H-imidazol-2-yl)-N-methylprop-2-en-1-imine?
The canonical SMILES for (Z)-3-(4H-imidazol-2-yl)-N-methylprop-2-en-1-imine is C/N=C/C=C\C1=NCC=N1.
What is the InChIKey of (Z)-3-(4H-imidazol-2-yl)-N-methylprop-2-en-1-imine?
The InChIKey is JTLORIMAXBUTEB-SOBRUKQLSA-N. The full InChI is InChI=1S/C7H9N3/c1-8-4-2-3-7-9-5-6-10-7/h2-5H,6H2,1H3/b3-2-,8-4+.
What are the key properties of (Z)-3-(4H-imidazol-2-yl)-N-methylprop-2-en-1-imine?
(Z)-3-(4H-imidazol-2-yl)-N-methylprop-2-en-1-imine has a molecular weight of 135.17 g/mol, XLogP of 0.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4H-imidazol-2-yl)-N-methylprop-2-en-1-imine is sourced from PubChem (CID 118970756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).