(Z)-N-(3,5-dimethylimidazol-4-yl)prop-2-en-1-imine

C8H11N3 — CID 142892588

IUPAC(Z)-N-(3,5-dimethylimidazol-4-yl)prop-2-en-1-imine
SMILESC=C/C=N\c1c(C)ncn1C
InChIInChI=1S/C8H11N3/c1-4-5-9-8-7(2)10-6-11(8)3/h4-6H,1H2,2-3H3/b9-5-
InChIKeyAQNGHSSOGHDIDO-UITAMQMPSA-N
MW149.20 g/mol
LogP1.62
Rot. Bonds2

About (Z)-N-(3,5-dimethylimidazol-4-yl)prop-2-en-1-imine

(Z)-N-(3,5-dimethylimidazol-4-yl)prop-2-en-1-imine (PubChem CID 142892588) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is (Z)-N-(3,5-dimethylimidazol-4-yl)prop-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-(3,5-dimethylimidazol-4-yl)prop-2-en-1-imine
PubChem CID142892588
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name(Z)-N-(3,5-dimethylimidazol-4-yl)prop-2-en-1-imine
SMILESC=C/C=N\c1c(C)ncn1C
InChIInChI=1S/C8H11N3/c1-4-5-9-8-7(2)10-6-11(8)3/h4-6H,1H2,2-3H3/b9-5-
InChIKeyAQNGHSSOGHDIDO-UITAMQMPSA-N
XLogP1.62
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.62
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-(3,5-dimethylimidazol-4-yl)prop-2-en-1-imine?
The IUPAC name of (Z)-N-(3,5-dimethylimidazol-4-yl)prop-2-en-1-imine (CID 142892588) is (Z)-N-(3,5-dimethylimidazol-4-yl)prop-2-en-1-imine.
What is the SMILES notation for (Z)-N-(3,5-dimethylimidazol-4-yl)prop-2-en-1-imine?
The canonical SMILES for (Z)-N-(3,5-dimethylimidazol-4-yl)prop-2-en-1-imine is C=C/C=N\c1c(C)ncn1C.
What is the InChIKey of (Z)-N-(3,5-dimethylimidazol-4-yl)prop-2-en-1-imine?
The InChIKey is AQNGHSSOGHDIDO-UITAMQMPSA-N. The full InChI is InChI=1S/C8H11N3/c1-4-5-9-8-7(2)10-6-11(8)3/h4-6H,1H2,2-3H3/b9-5-.
What are the key properties of (Z)-N-(3,5-dimethylimidazol-4-yl)prop-2-en-1-imine?
(Z)-N-(3,5-dimethylimidazol-4-yl)prop-2-en-1-imine has a molecular weight of 149.20 g/mol, XLogP of 1.62, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(3,5-dimethylimidazol-4-yl)prop-2-en-1-imine is sourced from PubChem (CID 142892588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).