6-prop-2-enyl-6H-pyrido[2,3-d]pyrimidin-7-one

C10H9N3O — CID 68522902

IUPAC6-prop-2-enyl-6H-pyrido[2,3-d]pyrimidin-7-one
SMILESC=CCC1C=c2cncnc2=NC1=O
InChIInChI=1S/C10H9N3O/c1-2-3-7-4-8-5-11-6-12-9(8)13-10(7)14/h2,4-7H,1,3H2
InChIKeyWWRKPTKXCBBVJQ-UHFFFAOYSA-N
MW187.20 g/mol
LogP-0.39
Rot. Bonds2

About 6-prop-2-enyl-6H-pyrido[2,3-d]pyrimidin-7-one

6-prop-2-enyl-6H-pyrido[2,3-d]pyrimidin-7-one (PubChem CID 68522902) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 6-prop-2-enyl-6H-pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-prop-2-enyl-6H-pyrido[2,3-d]pyrimidin-7-one
PubChem CID68522902
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name6-prop-2-enyl-6H-pyrido[2,3-d]pyrimidin-7-one
SMILESC=CCC1C=c2cncnc2=NC1=O
InChIInChI=1S/C10H9N3O/c1-2-3-7-4-8-5-11-6-12-9(8)13-10(7)14/h2,4-7H,1,3H2
InChIKeyWWRKPTKXCBBVJQ-UHFFFAOYSA-N
XLogP-0.39
TPSA55.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 6-prop-2-enyl-6H-pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-prop-2-enyl-6H-pyrido[2,3-d]pyrimidin-7-one (CID 68522902) is 6-prop-2-enyl-6H-pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-prop-2-enyl-6H-pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-prop-2-enyl-6H-pyrido[2,3-d]pyrimidin-7-one is C=CCC1C=c2cncnc2=NC1=O.
What is the InChIKey of 6-prop-2-enyl-6H-pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is WWRKPTKXCBBVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-2-3-7-4-8-5-11-6-12-9(8)13-10(7)14/h2,4-7H,1,3H2.
What are the key properties of 6-prop-2-enyl-6H-pyrido[2,3-d]pyrimidin-7-one?
6-prop-2-enyl-6H-pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 187.20 g/mol, XLogP of -0.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-prop-2-enyl-6H-pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 68522902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).