2-phenylindeno[2,1-d]pyrimidin-9-one

C17H10N2O — CID 10244232

IUPAC2-phenylindeno[2,1-d]pyrimidin-9-one
SMILESO=C1c2ccccc2-c2cnc(-c3ccccc3)nc21
InChIInChI=1S/C17H10N2O/c20-16-13-9-5-4-8-12(13)14-10-18-17(19-15(14)16)11-6-2-1-3-7-11/h1-10H
InChIKeyZPFBYRRSJUZGJP-UHFFFAOYSA-N
MW258.28 g/mol
LogP3.36
Rot. Bonds1

About 2-phenylindeno[2,1-d]pyrimidin-9-one

2-phenylindeno[2,1-d]pyrimidin-9-one (PubChem CID 10244232) has the molecular formula C17H10N2O and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-phenylindeno[2,1-d]pyrimidin-9-one.

Molecular Properties

Compound Name2-phenylindeno[2,1-d]pyrimidin-9-one
PubChem CID10244232
Molecular FormulaC17H10N2O
Molecular Weight258.28 g/mol
Exact Mass258.08
IUPAC Name2-phenylindeno[2,1-d]pyrimidin-9-one
SMILESO=C1c2ccccc2-c2cnc(-c3ccccc3)nc21
InChIInChI=1S/C17H10N2O/c20-16-13-9-5-4-8-12(13)14-10-18-17(19-15(14)16)11-6-2-1-3-7-11/h1-10H
InChIKeyZPFBYRRSJUZGJP-UHFFFAOYSA-N
XLogP3.36
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenylindeno[2,1-d]pyrimidin-9-one?
The IUPAC name of 2-phenylindeno[2,1-d]pyrimidin-9-one (CID 10244232) is 2-phenylindeno[2,1-d]pyrimidin-9-one.
What is the SMILES notation for 2-phenylindeno[2,1-d]pyrimidin-9-one?
The canonical SMILES for 2-phenylindeno[2,1-d]pyrimidin-9-one is O=C1c2ccccc2-c2cnc(-c3ccccc3)nc21.
What is the InChIKey of 2-phenylindeno[2,1-d]pyrimidin-9-one?
The InChIKey is ZPFBYRRSJUZGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O/c20-16-13-9-5-4-8-12(13)14-10-18-17(19-15(14)16)11-6-2-1-3-7-11/h1-10H.
What are the key properties of 2-phenylindeno[2,1-d]pyrimidin-9-one?
2-phenylindeno[2,1-d]pyrimidin-9-one has a molecular weight of 258.28 g/mol, XLogP of 3.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylindeno[2,1-d]pyrimidin-9-one is sourced from PubChem (CID 10244232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).