2,3-dimethyl-5-methylidene-N-[(Z)-prop-1-enyl]imidazol-4-imine

C9H13N3 — CID 129259209

IUPAC2,3-dimethyl-5-methylidene-N-[(Z)-prop-1-enyl]imidazol-4-imine
SMILESC=C1N=C(C)N(C)/C1=N/C=C\C
InChIInChI=1S/C9H13N3/c1-5-6-10-9-7(2)11-8(3)12(9)4/h5-6H,2H2,1,3-4H3/b6-5-,10-9+
InChIKeyJGEAXAGMKXTCOP-MLCWLASSSA-N
MW163.22 g/mol
LogP1.80
Rot. Bonds1

About 2,3-dimethyl-5-methylidene-N-[(Z)-prop-1-enyl]imidazol-4-imine

2,3-dimethyl-5-methylidene-N-[(Z)-prop-1-enyl]imidazol-4-imine (PubChem CID 129259209) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 2,3-dimethyl-5-methylidene-N-[(Z)-prop-1-enyl]imidazol-4-imine.

Molecular Properties

Compound Name2,3-dimethyl-5-methylidene-N-[(Z)-prop-1-enyl]imidazol-4-imine
PubChem CID129259209
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name2,3-dimethyl-5-methylidene-N-[(Z)-prop-1-enyl]imidazol-4-imine
SMILESC=C1N=C(C)N(C)/C1=N/C=C\C
InChIInChI=1S/C9H13N3/c1-5-6-10-9-7(2)11-8(3)12(9)4/h5-6H,2H2,1,3-4H3/b6-5-,10-9+
InChIKeyJGEAXAGMKXTCOP-MLCWLASSSA-N
XLogP1.80
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.80
H-Bond Donors ≤ 50
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 2,3-dimethyl-5-methylidene-N-[(Z)-prop-1-enyl]imidazol-4-imine?
The IUPAC name of 2,3-dimethyl-5-methylidene-N-[(Z)-prop-1-enyl]imidazol-4-imine (CID 129259209) is 2,3-dimethyl-5-methylidene-N-[(Z)-prop-1-enyl]imidazol-4-imine.
What is the SMILES notation for 2,3-dimethyl-5-methylidene-N-[(Z)-prop-1-enyl]imidazol-4-imine?
The canonical SMILES for 2,3-dimethyl-5-methylidene-N-[(Z)-prop-1-enyl]imidazol-4-imine is C=C1N=C(C)N(C)/C1=N/C=C\C.
What is the InChIKey of 2,3-dimethyl-5-methylidene-N-[(Z)-prop-1-enyl]imidazol-4-imine?
The InChIKey is JGEAXAGMKXTCOP-MLCWLASSSA-N. The full InChI is InChI=1S/C9H13N3/c1-5-6-10-9-7(2)11-8(3)12(9)4/h5-6H,2H2,1,3-4H3/b6-5-,10-9+.
What are the key properties of 2,3-dimethyl-5-methylidene-N-[(Z)-prop-1-enyl]imidazol-4-imine?
2,3-dimethyl-5-methylidene-N-[(Z)-prop-1-enyl]imidazol-4-imine has a molecular weight of 163.22 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-methylidene-N-[(Z)-prop-1-enyl]imidazol-4-imine is sourced from PubChem (CID 129259209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).