(Z)-N-(5-ethyl-1,2-dimethylimidazol-4-yl)prop-2-en-1-imine

C10H15N3 — CID 142995435

IUPAC(Z)-N-(5-ethyl-1,2-dimethylimidazol-4-yl)prop-2-en-1-imine
SMILESC=C/C=N\c1nc(C)n(C)c1CC
InChIInChI=1S/C10H15N3/c1-5-7-11-10-9(6-2)13(4)8(3)12-10/h5,7H,1,6H2,2-4H3/b11-7-
InChIKeyQEAWLKDXGDHZGE-XFFZJAGNSA-N
MW177.25 g/mol
LogP2.18
Rot. Bonds3

About (Z)-N-(5-ethyl-1,2-dimethylimidazol-4-yl)prop-2-en-1-imine

(Z)-N-(5-ethyl-1,2-dimethylimidazol-4-yl)prop-2-en-1-imine (PubChem CID 142995435) has the molecular formula C10H15N3 and a molecular weight of 177.25 g/mol. Its IUPAC name is (Z)-N-(5-ethyl-1,2-dimethylimidazol-4-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(5-ethyl-1,2-dimethylimidazol-4-yl)prop-2-en-1-imine
PubChem CID142995435
Molecular FormulaC10H15N3
Molecular Weight177.25 g/mol
Exact Mass177.13
IUPAC Name(Z)-N-(5-ethyl-1,2-dimethylimidazol-4-yl)prop-2-en-1-imine
SMILESC=C/C=N\c1nc(C)n(C)c1CC
InChIInChI=1S/C10H15N3/c1-5-7-11-10-9(6-2)13(4)8(3)12-10/h5,7H,1,6H2,2-4H3/b11-7-
InChIKeyQEAWLKDXGDHZGE-XFFZJAGNSA-N
XLogP2.18
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.25
LogP ≤ 52.18
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 (Z)-N-(5-ethyl-1,2-dimethylimidazol-4-yl)prop-2-en-1-imine?
The IUPAC name of (Z)-N-(5-ethyl-1,2-dimethylimidazol-4-yl)prop-2-en-1-imine (CID 142995435) is (Z)-N-(5-ethyl-1,2-dimethylimidazol-4-yl)prop-2-en-1-imine.
What is the SMILES notation for (Z)-N-(5-ethyl-1,2-dimethylimidazol-4-yl)prop-2-en-1-imine?
The canonical SMILES for (Z)-N-(5-ethyl-1,2-dimethylimidazol-4-yl)prop-2-en-1-imine is C=C/C=N\c1nc(C)n(C)c1CC.
What is the InChIKey of (Z)-N-(5-ethyl-1,2-dimethylimidazol-4-yl)prop-2-en-1-imine?
The InChIKey is QEAWLKDXGDHZGE-XFFZJAGNSA-N. The full InChI is InChI=1S/C10H15N3/c1-5-7-11-10-9(6-2)13(4)8(3)12-10/h5,7H,1,6H2,2-4H3/b11-7-.
What are the key properties of (Z)-N-(5-ethyl-1,2-dimethylimidazol-4-yl)prop-2-en-1-imine?
(Z)-N-(5-ethyl-1,2-dimethylimidazol-4-yl)prop-2-en-1-imine has a molecular weight of 177.25 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-ethyl-1,2-dimethylimidazol-4-yl)prop-2-en-1-imine is sourced from PubChem (CID 142995435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).