(4aR,9bR)-2-methyl-3,4a,5,9b-tetrahydroindeno[1,2-d]pyrimidin-4-one

C12H12N2O — CID 90089768

IUPAC(4aR,9bR)-2-methyl-3,4a,5,9b-tetrahydroindeno[1,2-d]pyrimidin-4-one
SMILESCC1=N[C@H]2c3ccccc3C[C@H]2C(=O)N1
InChIInChI=1S/C12H12N2O/c1-7-13-11-9-5-3-2-4-8(9)6-10(11)12(15)14-7/h2-5,10-11H,6H2,1H3,(H,13,14,15)/t10-,11+/m1/s1
InChIKeyOFDFEUJFIFDRDZ-MNOVXSKESA-N
MW200.24 g/mol
LogP1.45
Rot. Bonds

About (4aR,9bR)-2-methyl-3,4a,5,9b-tetrahydroindeno[1,2-d]pyrimidin-4-one

(4aR,9bR)-2-methyl-3,4a,5,9b-tetrahydroindeno[1,2-d]pyrimidin-4-one (PubChem CID 90089768) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is (4aR,9bR)-2-methyl-3,4a,5,9b-tetrahydroindeno[1,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name(4aR,9bR)-2-methyl-3,4a,5,9b-tetrahydroindeno[1,2-d]pyrimidin-4-one
PubChem CID90089768
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name(4aR,9bR)-2-methyl-3,4a,5,9b-tetrahydroindeno[1,2-d]pyrimidin-4-one
SMILESCC1=N[C@H]2c3ccccc3C[C@H]2C(=O)N1
InChIInChI=1S/C12H12N2O/c1-7-13-11-9-5-3-2-4-8(9)6-10(11)12(15)14-7/h2-5,10-11H,6H2,1H3,(H,13,14,15)/t10-,11+/m1/s1
InChIKeyOFDFEUJFIFDRDZ-MNOVXSKESA-N
XLogP1.45
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4aR,9bR)-2-methyl-3,4a,5,9b-tetrahydroindeno[1,2-d]pyrimidin-4-one?
The IUPAC name of (4aR,9bR)-2-methyl-3,4a,5,9b-tetrahydroindeno[1,2-d]pyrimidin-4-one (CID 90089768) is (4aR,9bR)-2-methyl-3,4a,5,9b-tetrahydroindeno[1,2-d]pyrimidin-4-one.
What is the SMILES notation for (4aR,9bR)-2-methyl-3,4a,5,9b-tetrahydroindeno[1,2-d]pyrimidin-4-one?
The canonical SMILES for (4aR,9bR)-2-methyl-3,4a,5,9b-tetrahydroindeno[1,2-d]pyrimidin-4-one is CC1=N[C@H]2c3ccccc3C[C@H]2C(=O)N1.
What is the InChIKey of (4aR,9bR)-2-methyl-3,4a,5,9b-tetrahydroindeno[1,2-d]pyrimidin-4-one?
The InChIKey is OFDFEUJFIFDRDZ-MNOVXSKESA-N. The full InChI is InChI=1S/C12H12N2O/c1-7-13-11-9-5-3-2-4-8(9)6-10(11)12(15)14-7/h2-5,10-11H,6H2,1H3,(H,13,14,15)/t10-,11+/m1/s1.
What are the key properties of (4aR,9bR)-2-methyl-3,4a,5,9b-tetrahydroindeno[1,2-d]pyrimidin-4-one?
(4aR,9bR)-2-methyl-3,4a,5,9b-tetrahydroindeno[1,2-d]pyrimidin-4-one has a molecular weight of 200.24 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,9bR)-2-methyl-3,4a,5,9b-tetrahydroindeno[1,2-d]pyrimidin-4-one is sourced from PubChem (CID 90089768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).