2-prop-2-enyl-4,5-dihydroimidazol-1-amine

C6H11N3 — CID 68798969

IUPAC2-prop-2-enyl-4,5-dihydroimidazol-1-amine
SMILESC=CCC1=NCCN1N
InChIInChI=1S/C6H11N3/c1-2-3-6-8-4-5-9(6)7/h2H,1,3-5,7H2
InChIKeyHHOFQGNSDHNTTP-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.15
Rot. Bonds2

About 2-prop-2-enyl-4,5-dihydroimidazol-1-amine

2-prop-2-enyl-4,5-dihydroimidazol-1-amine (PubChem CID 68798969) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is 2-prop-2-enyl-4,5-dihydroimidazol-1-amine.

Molecular Properties

Compound Name2-prop-2-enyl-4,5-dihydroimidazol-1-amine
PubChem CID68798969
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC Name2-prop-2-enyl-4,5-dihydroimidazol-1-amine
SMILESC=CCC1=NCCN1N
InChIInChI=1S/C6H11N3/c1-2-3-6-8-4-5-9(6)7/h2H,1,3-5,7H2
InChIKeyHHOFQGNSDHNTTP-UHFFFAOYSA-N
XLogP0.15
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-4,5-dihydroimidazol-1-amine?
The IUPAC name of 2-prop-2-enyl-4,5-dihydroimidazol-1-amine (CID 68798969) is 2-prop-2-enyl-4,5-dihydroimidazol-1-amine.
What is the SMILES notation for 2-prop-2-enyl-4,5-dihydroimidazol-1-amine?
The canonical SMILES for 2-prop-2-enyl-4,5-dihydroimidazol-1-amine is C=CCC1=NCCN1N.
What is the InChIKey of 2-prop-2-enyl-4,5-dihydroimidazol-1-amine?
The InChIKey is HHOFQGNSDHNTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-2-3-6-8-4-5-9(6)7/h2H,1,3-5,7H2.
What are the key properties of 2-prop-2-enyl-4,5-dihydroimidazol-1-amine?
2-prop-2-enyl-4,5-dihydroimidazol-1-amine has a molecular weight of 125.17 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-4,5-dihydroimidazol-1-amine is sourced from PubChem (CID 68798969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).