N-(5-ethenyl-3-propan-2-ylimidazol-4-yl)methanimine

C9H13N3 — CID 142363960

IUPACN-(5-ethenyl-3-propan-2-ylimidazol-4-yl)methanimine
SMILESC=Cc1ncn(C(C)C)c1N=C
InChIInChI=1S/C9H13N3/c1-5-8-9(10-4)12(6-11-8)7(2)3/h5-7H,1,4H2,2-3H3
InChIKeyHWSGVFSDIWULCL-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.44
Rot. Bonds3

About N-(5-ethenyl-3-propan-2-ylimidazol-4-yl)methanimine

N-(5-ethenyl-3-propan-2-ylimidazol-4-yl)methanimine (PubChem CID 142363960) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is N-(5-ethenyl-3-propan-2-ylimidazol-4-yl)methanimine.

Molecular Properties

Compound NameN-(5-ethenyl-3-propan-2-ylimidazol-4-yl)methanimine
PubChem CID142363960
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC NameN-(5-ethenyl-3-propan-2-ylimidazol-4-yl)methanimine
SMILESC=Cc1ncn(C(C)C)c1N=C
InChIInChI=1S/C9H13N3/c1-5-8-9(10-4)12(6-11-8)7(2)3/h5-7H,1,4H2,2-3H3
InChIKeyHWSGVFSDIWULCL-UHFFFAOYSA-N
XLogP2.44
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-(5-ethenyl-3-propan-2-ylimidazol-4-yl)methanimine?
The IUPAC name of N-(5-ethenyl-3-propan-2-ylimidazol-4-yl)methanimine (CID 142363960) is N-(5-ethenyl-3-propan-2-ylimidazol-4-yl)methanimine.
What is the SMILES notation for N-(5-ethenyl-3-propan-2-ylimidazol-4-yl)methanimine?
The canonical SMILES for N-(5-ethenyl-3-propan-2-ylimidazol-4-yl)methanimine is C=Cc1ncn(C(C)C)c1N=C.
What is the InChIKey of N-(5-ethenyl-3-propan-2-ylimidazol-4-yl)methanimine?
The InChIKey is HWSGVFSDIWULCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3/c1-5-8-9(10-4)12(6-11-8)7(2)3/h5-7H,1,4H2,2-3H3.
What are the key properties of N-(5-ethenyl-3-propan-2-ylimidazol-4-yl)methanimine?
N-(5-ethenyl-3-propan-2-ylimidazol-4-yl)methanimine has a molecular weight of 163.22 g/mol, XLogP of 2.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-ethenyl-3-propan-2-ylimidazol-4-yl)methanimine is sourced from PubChem (CID 142363960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).