7-prop-2-enyl-1H-quinazoline-2,4-dione

C11H10N2O2 — CID 19604299

IUPAC7-prop-2-enyl-1H-quinazoline-2,4-dione
SMILESC=CCc1ccc2c(=O)[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H10N2O2/c1-2-3-7-4-5-8-9(6-7)12-11(15)13-10(8)14/h2,4-6H,1,3H2,(H2,12,13,14,15)
InChIKeyULQBQSYQERBOKP-UHFFFAOYSA-N
MW202.21 g/mol
LogP0.94
Rot. Bonds2

About 7-prop-2-enyl-1H-quinazoline-2,4-dione

7-prop-2-enyl-1H-quinazoline-2,4-dione (PubChem CID 19604299) has the molecular formula C11H10N2O2 and a molecular weight of 202.21 g/mol. Its IUPAC name is 7-prop-2-enyl-1H-quinazoline-2,4-dione.

Molecular Properties

Compound Name7-prop-2-enyl-1H-quinazoline-2,4-dione
PubChem CID19604299
Molecular FormulaC11H10N2O2
Molecular Weight202.21 g/mol
Exact Mass202.07
IUPAC Name7-prop-2-enyl-1H-quinazoline-2,4-dione
SMILESC=CCc1ccc2c(=O)[nH]c(=O)[nH]c2c1
InChIInChI=1S/C11H10N2O2/c1-2-3-7-4-5-8-9(6-7)12-11(15)13-10(8)14/h2,4-6H,1,3H2,(H2,12,13,14,15)
InChIKeyULQBQSYQERBOKP-UHFFFAOYSA-N
XLogP0.94
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 50.94
H-Bond Donors ≤ 52
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 7-prop-2-enyl-1H-quinazoline-2,4-dione?
The IUPAC name of 7-prop-2-enyl-1H-quinazoline-2,4-dione (CID 19604299) is 7-prop-2-enyl-1H-quinazoline-2,4-dione.
What is the SMILES notation for 7-prop-2-enyl-1H-quinazoline-2,4-dione?
The canonical SMILES for 7-prop-2-enyl-1H-quinazoline-2,4-dione is C=CCc1ccc2c(=O)[nH]c(=O)[nH]c2c1.
What is the InChIKey of 7-prop-2-enyl-1H-quinazoline-2,4-dione?
The InChIKey is ULQBQSYQERBOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O2/c1-2-3-7-4-5-8-9(6-7)12-11(15)13-10(8)14/h2,4-6H,1,3H2,(H2,12,13,14,15).
What are the key properties of 7-prop-2-enyl-1H-quinazoline-2,4-dione?
7-prop-2-enyl-1H-quinazoline-2,4-dione has a molecular weight of 202.21 g/mol, XLogP of 0.94, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-2-enyl-1H-quinazoline-2,4-dione is sourced from PubChem (CID 19604299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).