2-(2,2-dimethylpropyl)phthalazin-1-one

C13H16N2O — CID 122497308

IUPAC2-(2,2-dimethylpropyl)phthalazin-1-one
SMILESCC(C)(C)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C13H16N2O/c1-13(2,3)9-15-12(16)11-7-5-4-6-10(11)8-14-15/h4-8H,9H2,1-3H3
InChIKeyFGBWPLFAVOSDGN-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.44
Rot. Bonds1

About 2-(2,2-dimethylpropyl)phthalazin-1-one

2-(2,2-dimethylpropyl)phthalazin-1-one (PubChem CID 122497308) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)phthalazin-1-one.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)phthalazin-1-one
PubChem CID122497308
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name2-(2,2-dimethylpropyl)phthalazin-1-one
SMILESCC(C)(C)Cn1ncc2ccccc2c1=O
InChIInChI=1S/C13H16N2O/c1-13(2,3)9-15-12(16)11-7-5-4-6-10(11)8-14-15/h4-8H,9H2,1-3H3
InChIKeyFGBWPLFAVOSDGN-UHFFFAOYSA-N
XLogP2.44
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-4-(1-oxophthalazin-2-yl)butanoic acid
CID 65248238
2-prop-2-enylphthalazin-1-one
CID 18989461
2-(3-oxobutyl)phthalazin-1-one
CID 60724062
2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride
CID 3057187
2-(pyrrolidin-1-ylmethyl)phthalazin-1-one
CID 35869698
2-(5-chloropentyl)phthalazin-1-one
CID 43348317
2-[2-(2-methylanilino)ethyl]phthalazin-1-one
CID 62562795
2-[(4-ethylpiperazin-1-yl)methyl]phthalazin-1-one
CID 18132974
2-[[2-(aminomethyl)phenyl]methyl]phthalazin-1-one
CID 16782938
2-phenacylphthalazin-1-one
CID 60774188
2-[[2-(ethylamino)-4-pyridinyl]methyl]phthalazin-1-one
CID 62465252
2-[2-(3-methylanilino)ethyl]phthalazin-1-one
CID 62564352

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)phthalazin-1-one?
The IUPAC name of 2-(2,2-dimethylpropyl)phthalazin-1-one (CID 122497308) is 2-(2,2-dimethylpropyl)phthalazin-1-one.
What is the SMILES notation for 2-(2,2-dimethylpropyl)phthalazin-1-one?
The canonical SMILES for 2-(2,2-dimethylpropyl)phthalazin-1-one is CC(C)(C)Cn1ncc2ccccc2c1=O.
What is the InChIKey of 2-(2,2-dimethylpropyl)phthalazin-1-one?
The InChIKey is FGBWPLFAVOSDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-13(2,3)9-15-12(16)11-7-5-4-6-10(11)8-14-15/h4-8H,9H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)phthalazin-1-one?
2-(2,2-dimethylpropyl)phthalazin-1-one has a molecular weight of 216.28 g/mol, XLogP of 2.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)phthalazin-1-one is sourced from PubChem (CID 122497308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).