3-prop-2-enyl-1,2-dihydroimidazole

C6H10N2 — CID 23106822

IUPAC3-prop-2-enyl-1,2-dihydroimidazole
SMILESC=CCN1C=CNC1
InChIInChI=1S/C6H10N2/c1-2-4-8-5-3-7-6-8/h2-3,5,7H,1,4,6H2
InChIKeyHMMRIAYSWUVPNO-UHFFFAOYSA-N
MW110.16 g/mol
LogP0.51
Rot. Bonds2

About 3-prop-2-enyl-1,2-dihydroimidazole

3-prop-2-enyl-1,2-dihydroimidazole (PubChem CID 23106822) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-prop-2-enyl-1,2-dihydroimidazole.

Molecular Properties

Compound Name3-prop-2-enyl-1,2-dihydroimidazole
PubChem CID23106822
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Name3-prop-2-enyl-1,2-dihydroimidazole
SMILESC=CCN1C=CNC1
InChIInChI=1S/C6H10N2/c1-2-4-8-5-3-7-6-8/h2-3,5,7H,1,4,6H2
InChIKeyHMMRIAYSWUVPNO-UHFFFAOYSA-N
XLogP0.51
TPSA15.27 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 ≤ 50.51
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 3-prop-2-enyl-1,2-dihydroimidazole?
The IUPAC name of 3-prop-2-enyl-1,2-dihydroimidazole (CID 23106822) is 3-prop-2-enyl-1,2-dihydroimidazole.
What is the SMILES notation for 3-prop-2-enyl-1,2-dihydroimidazole?
The canonical SMILES for 3-prop-2-enyl-1,2-dihydroimidazole is C=CCN1C=CNC1.
What is the InChIKey of 3-prop-2-enyl-1,2-dihydroimidazole?
The InChIKey is HMMRIAYSWUVPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2/c1-2-4-8-5-3-7-6-8/h2-3,5,7H,1,4,6H2.
What are the key properties of 3-prop-2-enyl-1,2-dihydroimidazole?
3-prop-2-enyl-1,2-dihydroimidazole has a molecular weight of 110.16 g/mol, XLogP of 0.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-prop-2-enyl-1,2-dihydroimidazole is sourced from PubChem (CID 23106822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).