2-methyl-3-prop-2-enyl-2,4a-dihydroquinazolin-4-one

C12H14N2O — CID 23823107

IUPAC2-methyl-3-prop-2-enyl-2,4a-dihydroquinazolin-4-one
SMILESC=CCN1C(=O)C2C=CC=CC2=NC1C
InChIInChI=1S/C12H14N2O/c1-3-8-14-9(2)13-11-7-5-4-6-10(11)12(14)15/h3-7,9-10H,1,8H2,2H3
InChIKeyGOPCPILYRMJDCV-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.54
Rot. Bonds2

About 2-methyl-3-prop-2-enyl-2,4a-dihydroquinazolin-4-one

2-methyl-3-prop-2-enyl-2,4a-dihydroquinazolin-4-one (PubChem CID 23823107) has the molecular formula C12H14N2O and a molecular weight of 202.26 g/mol. Its IUPAC name is 2-methyl-3-prop-2-enyl-2,4a-dihydroquinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-prop-2-enyl-2,4a-dihydroquinazolin-4-one
PubChem CID23823107
Molecular FormulaC12H14N2O
Molecular Weight202.26 g/mol
Exact Mass202.11
IUPAC Name2-methyl-3-prop-2-enyl-2,4a-dihydroquinazolin-4-one
SMILESC=CCN1C(=O)C2C=CC=CC2=NC1C
InChIInChI=1S/C12H14N2O/c1-3-8-14-9(2)13-11-7-5-4-6-10(11)12(14)15/h3-7,9-10H,1,8H2,2H3
InChIKeyGOPCPILYRMJDCV-UHFFFAOYSA-N
XLogP1.54
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.54
H-Bond Donors ≤ 50
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-methyl-3-prop-2-enyl-2,4a-dihydroquinazolin-4-one?
The IUPAC name of 2-methyl-3-prop-2-enyl-2,4a-dihydroquinazolin-4-one (CID 23823107) is 2-methyl-3-prop-2-enyl-2,4a-dihydroquinazolin-4-one.
What is the SMILES notation for 2-methyl-3-prop-2-enyl-2,4a-dihydroquinazolin-4-one?
The canonical SMILES for 2-methyl-3-prop-2-enyl-2,4a-dihydroquinazolin-4-one is C=CCN1C(=O)C2C=CC=CC2=NC1C.
What is the InChIKey of 2-methyl-3-prop-2-enyl-2,4a-dihydroquinazolin-4-one?
The InChIKey is GOPCPILYRMJDCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O/c1-3-8-14-9(2)13-11-7-5-4-6-10(11)12(14)15/h3-7,9-10H,1,8H2,2H3.
What are the key properties of 2-methyl-3-prop-2-enyl-2,4a-dihydroquinazolin-4-one?
2-methyl-3-prop-2-enyl-2,4a-dihydroquinazolin-4-one has a molecular weight of 202.26 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-2-enyl-2,4a-dihydroquinazolin-4-one is sourced from PubChem (CID 23823107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).