azane;1-methyl-3-prop-2-enyl-2H-imidazole

C7H15N3 — CID 175373191

IUPACazane;1-methyl-3-prop-2-enyl-2H-imidazole
SMILESC=CCN1C=CN(C)C1.N
InChIInChI=1S/C7H12N2.H3N/c1-3-4-9-6-5-8(2)7-9;/h3,5-6H,1,4,7H2,2H3;1H3
InChIKeyOPIXAFNKLOQIME-UHFFFAOYSA-N
MW141.22 g/mol
LogP1.01
Rot. Bonds2

About azane;1-methyl-3-prop-2-enyl-2H-imidazole

azane;1-methyl-3-prop-2-enyl-2H-imidazole (PubChem CID 175373191) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is azane;1-methyl-3-prop-2-enyl-2H-imidazole.

Molecular Properties

Compound Nameazane;1-methyl-3-prop-2-enyl-2H-imidazole
PubChem CID175373191
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Nameazane;1-methyl-3-prop-2-enyl-2H-imidazole
SMILESC=CCN1C=CN(C)C1.N
InChIInChI=1S/C7H12N2.H3N/c1-3-4-9-6-5-8(2)7-9;/h3,5-6H,1,4,7H2,2H3;1H3
InChIKeyOPIXAFNKLOQIME-UHFFFAOYSA-N
XLogP1.01
TPSA41.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of azane;1-methyl-3-prop-2-enyl-2H-imidazole?
The IUPAC name of azane;1-methyl-3-prop-2-enyl-2H-imidazole (CID 175373191) is azane;1-methyl-3-prop-2-enyl-2H-imidazole.
What is the SMILES notation for azane;1-methyl-3-prop-2-enyl-2H-imidazole?
The canonical SMILES for azane;1-methyl-3-prop-2-enyl-2H-imidazole is C=CCN1C=CN(C)C1.N.
What is the InChIKey of azane;1-methyl-3-prop-2-enyl-2H-imidazole?
The InChIKey is OPIXAFNKLOQIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.H3N/c1-3-4-9-6-5-8(2)7-9;/h3,5-6H,1,4,7H2,2H3;1H3.
What are the key properties of azane;1-methyl-3-prop-2-enyl-2H-imidazole?
azane;1-methyl-3-prop-2-enyl-2H-imidazole has a molecular weight of 141.22 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-methyl-3-prop-2-enyl-2H-imidazole is sourced from PubChem (CID 175373191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).