4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione

C17H12N2O2 — CID 3237127

IUPAC4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione
SMILESO=C1NC2=C(C(=O)c3ccccc32)C(c2ccccc2)N1
InChIInChI=1S/C17H12N2O2/c20-16-12-9-5-4-8-11(12)15-13(16)14(18-17(21)19-15)10-6-2-1-3-7-10/h1-9,14H,(H2,18,19,21)
InChIKeyISEKSXKHQRZFJA-UHFFFAOYSA-N
MW276.30 g/mol
LogP2.65
Rot. Bonds1

About 4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione

4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione (PubChem CID 3237127) has the molecular formula C17H12N2O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione.

Molecular Properties

Compound Name4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione
PubChem CID3237127
Molecular FormulaC17H12N2O2
Molecular Weight276.30 g/mol
Exact Mass276.09
IUPAC Name4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione
SMILESO=C1NC2=C(C(=O)c3ccccc32)C(c2ccccc2)N1
InChIInChI=1S/C17H12N2O2/c20-16-12-9-5-4-8-11(12)15-13(16)14(18-17(21)19-15)10-6-2-1-3-7-10/h1-9,14H,(H2,18,19,21)
InChIKeyISEKSXKHQRZFJA-UHFFFAOYSA-N
XLogP2.65
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione?
The IUPAC name of 4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione (CID 3237127) is 4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione.
What is the SMILES notation for 4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione?
The canonical SMILES for 4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione is O=C1NC2=C(C(=O)c3ccccc32)C(c2ccccc2)N1.
What is the InChIKey of 4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione?
The InChIKey is ISEKSXKHQRZFJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O2/c20-16-12-9-5-4-8-11(12)15-13(16)14(18-17(21)19-15)10-6-2-1-3-7-10/h1-9,14H,(H2,18,19,21).
What are the key properties of 4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione?
4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione has a molecular weight of 276.30 g/mol, XLogP of 2.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3,4-dihydro-1H-indeno[1,2-d]pyrimidine-2,5-dione is sourced from PubChem (CID 3237127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).