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

C12H8N2O — CID 23636012

IUPAC2-methylindeno[2,1-d]pyrimidin-9-one
SMILESCc1ncc2c(n1)C(=O)c1ccccc1-2
InChIInChI=1S/C12H8N2O/c1-7-13-6-10-8-4-2-3-5-9(8)12(15)11(10)14-7/h2-6H,1H3
InChIKeyQMXCHNWJZQMLGG-UHFFFAOYSA-N
MW196.21 g/mol
LogP2.00
Rot. Bonds

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

2-methylindeno[2,1-d]pyrimidin-9-one (PubChem CID 23636012) has the molecular formula C12H8N2O and a molecular weight of 196.21 g/mol. Its IUPAC name is 2-methylindeno[2,1-d]pyrimidin-9-one.

Molecular Properties

Compound Name2-methylindeno[2,1-d]pyrimidin-9-one
PubChem CID23636012
Molecular FormulaC12H8N2O
Molecular Weight196.21 g/mol
Exact Mass196.06
IUPAC Name2-methylindeno[2,1-d]pyrimidin-9-one
SMILESCc1ncc2c(n1)C(=O)c1ccccc1-2
InChIInChI=1S/C12H8N2O/c1-7-13-6-10-8-4-2-3-5-9(8)12(15)11(10)14-7/h2-6H,1H3
InChIKeyQMXCHNWJZQMLGG-UHFFFAOYSA-N
XLogP2.00
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methylindeno[2,1-d]pyrimidin-9-one?
The IUPAC name of 2-methylindeno[2,1-d]pyrimidin-9-one (CID 23636012) is 2-methylindeno[2,1-d]pyrimidin-9-one.
What is the SMILES notation for 2-methylindeno[2,1-d]pyrimidin-9-one?
The canonical SMILES for 2-methylindeno[2,1-d]pyrimidin-9-one is Cc1ncc2c(n1)C(=O)c1ccccc1-2.
What is the InChIKey of 2-methylindeno[2,1-d]pyrimidin-9-one?
The InChIKey is QMXCHNWJZQMLGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8N2O/c1-7-13-6-10-8-4-2-3-5-9(8)12(15)11(10)14-7/h2-6H,1H3.
What are the key properties of 2-methylindeno[2,1-d]pyrimidin-9-one?
2-methylindeno[2,1-d]pyrimidin-9-one has a molecular weight of 196.21 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylindeno[2,1-d]pyrimidin-9-one is sourced from PubChem (CID 23636012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).