2-prop-2-enyl-4,5-dihydro-1H-imidazole

C6H10N2 — CID 57454900

IUPAC2-prop-2-enyl-4,5-dihydro-1H-imidazole
SMILESC=CCC1=NCCN1
InChIInChI=1S/C6H10N2/c1-2-3-6-7-4-5-8-6/h2H,1,3-5H2,(H,7,8)
InChIKeyFMMXQXHFPFOOCN-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.56
Rot. Bonds2

About 2-prop-2-enyl-4,5-dihydro-1H-imidazole

2-prop-2-enyl-4,5-dihydro-1H-imidazole (PubChem CID 57454900) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 2-prop-2-enyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-prop-2-enyl-4,5-dihydro-1H-imidazole
PubChem CID57454900
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name2-prop-2-enyl-4,5-dihydro-1H-imidazole
SMILESC=CCC1=NCCN1
InChIInChI=1S/C6H10N2/c1-2-3-6-7-4-5-8-6/h2H,1,3-5H2,(H,7,8)
InChIKeyFMMXQXHFPFOOCN-UHFFFAOYSA-N
XLogP0.56
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-prop-2-enyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-prop-2-enyl-4,5-dihydro-1H-imidazole (CID 57454900) is 2-prop-2-enyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-prop-2-enyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-prop-2-enyl-4,5-dihydro-1H-imidazole is C=CCC1=NCCN1.
What is the InChIKey of 2-prop-2-enyl-4,5-dihydro-1H-imidazole?
The InChIKey is FMMXQXHFPFOOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-3-6-7-4-5-8-6/h2H,1,3-5H2,(H,7,8).
What are the key properties of 2-prop-2-enyl-4,5-dihydro-1H-imidazole?
2-prop-2-enyl-4,5-dihydro-1H-imidazole has a molecular weight of 110.16 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 57454900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).