4-prop-2-enyl-3,4-dihydro-1H-quinazolin-2-one

C11H12N2O — CID 54023611

IUPAC4-prop-2-enyl-3,4-dihydro-1H-quinazolin-2-one
SMILESC=CCC1NC(=O)Nc2ccccc21
InChIInChI=1S/C11H12N2O/c1-2-5-9-8-6-3-4-7-10(8)13-11(14)12-9/h2-4,6-7,9H,1,5H2,(H2,12,13,14)
InChIKeyLAPXIOJGODXLLZ-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.44
Rot. Bonds2

About 4-prop-2-enyl-3,4-dihydro-1H-quinazolin-2-one

4-prop-2-enyl-3,4-dihydro-1H-quinazolin-2-one (PubChem CID 54023611) has the molecular formula C11H12N2O and a molecular weight of 188.23 g/mol. Its IUPAC name is 4-prop-2-enyl-3,4-dihydro-1H-quinazolin-2-one.

Molecular Properties

Compound Name4-prop-2-enyl-3,4-dihydro-1H-quinazolin-2-one
PubChem CID54023611
Molecular FormulaC11H12N2O
Molecular Weight188.23 g/mol
Exact Mass188.09
IUPAC Name4-prop-2-enyl-3,4-dihydro-1H-quinazolin-2-one
SMILESC=CCC1NC(=O)Nc2ccccc21
InChIInChI=1S/C11H12N2O/c1-2-5-9-8-6-3-4-7-10(8)13-11(14)12-9/h2-4,6-7,9H,1,5H2,(H2,12,13,14)
InChIKeyLAPXIOJGODXLLZ-UHFFFAOYSA-N
XLogP2.44
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 4-prop-2-enyl-3,4-dihydro-1H-quinazolin-2-one?
The IUPAC name of 4-prop-2-enyl-3,4-dihydro-1H-quinazolin-2-one (CID 54023611) is 4-prop-2-enyl-3,4-dihydro-1H-quinazolin-2-one.
What is the SMILES notation for 4-prop-2-enyl-3,4-dihydro-1H-quinazolin-2-one?
The canonical SMILES for 4-prop-2-enyl-3,4-dihydro-1H-quinazolin-2-one is C=CCC1NC(=O)Nc2ccccc21.
What is the InChIKey of 4-prop-2-enyl-3,4-dihydro-1H-quinazolin-2-one?
The InChIKey is LAPXIOJGODXLLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O/c1-2-5-9-8-6-3-4-7-10(8)13-11(14)12-9/h2-4,6-7,9H,1,5H2,(H2,12,13,14).
What are the key properties of 4-prop-2-enyl-3,4-dihydro-1H-quinazolin-2-one?
4-prop-2-enyl-3,4-dihydro-1H-quinazolin-2-one has a molecular weight of 188.23 g/mol, XLogP of 2.44, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enyl-3,4-dihydro-1H-quinazolin-2-one is sourced from PubChem (CID 54023611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).