3-(5-methyl-2H-imidazol-4-yl)prop-1-en-2-amine

C7H11N3 — CID 145452032

IUPAC3-(5-methyl-2H-imidazol-4-yl)prop-1-en-2-amine
SMILESC=C(N)CC1=NCN=C1C
InChIInChI=1S/C7H11N3/c1-5(8)3-7-6(2)9-4-10-7/h1,3-4,8H2,2H3
InChIKeyWKRVOCSBRUKYJZ-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.72
Rot. Bonds2

About 3-(5-methyl-2H-imidazol-4-yl)prop-1-en-2-amine

3-(5-methyl-2H-imidazol-4-yl)prop-1-en-2-amine (PubChem CID 145452032) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 3-(5-methyl-2H-imidazol-4-yl)prop-1-en-2-amine.

Molecular Properties

Compound Name3-(5-methyl-2H-imidazol-4-yl)prop-1-en-2-amine
PubChem CID145452032
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name3-(5-methyl-2H-imidazol-4-yl)prop-1-en-2-amine
SMILESC=C(N)CC1=NCN=C1C
InChIInChI=1S/C7H11N3/c1-5(8)3-7-6(2)9-4-10-7/h1,3-4,8H2,2H3
InChIKeyWKRVOCSBRUKYJZ-UHFFFAOYSA-N
XLogP0.72
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-2H-imidazol-4-yl)prop-1-en-2-amine?
The IUPAC name of 3-(5-methyl-2H-imidazol-4-yl)prop-1-en-2-amine (CID 145452032) is 3-(5-methyl-2H-imidazol-4-yl)prop-1-en-2-amine.
What is the SMILES notation for 3-(5-methyl-2H-imidazol-4-yl)prop-1-en-2-amine?
The canonical SMILES for 3-(5-methyl-2H-imidazol-4-yl)prop-1-en-2-amine is C=C(N)CC1=NCN=C1C.
What is the InChIKey of 3-(5-methyl-2H-imidazol-4-yl)prop-1-en-2-amine?
The InChIKey is WKRVOCSBRUKYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-5(8)3-7-6(2)9-4-10-7/h1,3-4,8H2,2H3.
What are the key properties of 3-(5-methyl-2H-imidazol-4-yl)prop-1-en-2-amine?
3-(5-methyl-2H-imidazol-4-yl)prop-1-en-2-amine has a molecular weight of 137.19 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-2H-imidazol-4-yl)prop-1-en-2-amine is sourced from PubChem (CID 145452032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).