4-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2H-phthalazin-1-one

C18H16N2O — CID 70867807

IUPAC4-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2H-phthalazin-1-one
SMILESCC1Cc2ccccc2C1c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H16N2O/c1-11-10-12-6-2-3-7-13(12)16(11)17-14-8-4-5-9-15(14)18(21)20-19-17/h2-9,11,16H,10H2,1H3,(H,20,21)
InChIKeyRXZHNHSCXWVUKZ-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.25
Rot. Bonds1

About 4-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2H-phthalazin-1-one

4-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2H-phthalazin-1-one (PubChem CID 70867807) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 4-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2H-phthalazin-1-one
PubChem CID70867807
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name4-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2H-phthalazin-1-one
SMILESCC1Cc2ccccc2C1c1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C18H16N2O/c1-11-10-12-6-2-3-7-13(12)16(11)17-14-8-4-5-9-15(14)18(21)20-19-17/h2-9,11,16H,10H2,1H3,(H,20,21)
InChIKeyRXZHNHSCXWVUKZ-UHFFFAOYSA-N
XLogP3.25
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2H-phthalazin-1-one?
The IUPAC name of 4-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2H-phthalazin-1-one (CID 70867807) is 4-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2H-phthalazin-1-one is CC1Cc2ccccc2C1c1n[nH]c(=O)c2ccccc12.
What is the InChIKey of 4-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2H-phthalazin-1-one?
The InChIKey is RXZHNHSCXWVUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-11-10-12-6-2-3-7-13(12)16(11)17-14-8-4-5-9-15(14)18(21)20-19-17/h2-9,11,16H,10H2,1H3,(H,20,21).
What are the key properties of 4-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2H-phthalazin-1-one?
4-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2H-phthalazin-1-one has a molecular weight of 276.34 g/mol, XLogP of 3.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3-dihydro-1H-inden-1-yl)-2H-phthalazin-1-one is sourced from PubChem (CID 70867807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).