4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one

C15H16N2O2 — CID 118661389

IUPAC4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one
SMILESO=c1[nH]nc(C2CC3(CC(O)C3)C2)c2ccccc12
InChIInChI=1S/C15H16N2O2/c18-10-7-15(8-10)5-9(6-15)13-11-3-1-2-4-12(11)14(19)17-16-13/h1-4,9-10,18H,5-8H2,(H,17,19)
InChIKeyIQMOPERGIXNCIL-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.94
Rot. Bonds1

About 4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one

4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one (PubChem CID 118661389) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one
PubChem CID118661389
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one
SMILESO=c1[nH]nc(C2CC3(CC(O)C3)C2)c2ccccc12
InChIInChI=1S/C15H16N2O2/c18-10-7-15(8-10)5-9(6-15)13-11-3-1-2-4-12(11)14(19)17-16-13/h1-4,9-10,18H,5-8H2,(H,17,19)
InChIKeyIQMOPERGIXNCIL-UHFFFAOYSA-N
XLogP1.94
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopentyl-2H-phthalazin-1-one
CID 852172
4-(4-aminocyclohexyl)-2H-phthalazin-1-one
CID 134286363
N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-2-carboxamide
CID 118673656
N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
CID 118673621
N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]imidazo[1,2-a]pyridine-3-carboxamide
CID 118673634
3-(1H-imidazol-5-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]benzamide
CID 118673690
1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indole-6-carboxamide
CID 118673755
1-methyl-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]indazole-6-carboxamide
CID 118673697
2,3-dihydro-1H-indole;4-[2-(2,3-dihydroindole-1-carbonyl)spiro[3.3]heptan-6-yl]-2H-phthalazin-1-one;6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptane-2-carboxylic acid
CID 162046271
4-[2-(2,3-dihydroindole-1-carbonyl)spiro[3.3]heptan-6-yl]-5-hydroxy-2H-phthalazin-1-one
CID 136967708
6-(2-hydroxypropan-2-yl)-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 118673553
4-ethoxy-5-oxo-N-[6-(4-oxo-3H-phthalazin-1-yl)spiro[3.3]heptan-2-yl]-1-(2,2,2-trifluoroethyl)-2H-pyrrole-3-carboxamide
CID 118673747

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one?
The IUPAC name of 4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one (CID 118661389) is 4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one.
What is the SMILES notation for 4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one?
The canonical SMILES for 4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one is O=c1[nH]nc(C2CC3(CC(O)C3)C2)c2ccccc12.
What is the InChIKey of 4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one?
The InChIKey is IQMOPERGIXNCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-10-7-15(8-10)5-9(6-15)13-11-3-1-2-4-12(11)14(19)17-16-13/h1-4,9-10,18H,5-8H2,(H,17,19).
What are the key properties of 4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one?
4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one has a molecular weight of 256.31 g/mol, XLogP of 1.94, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyspiro[3.3]heptan-6-yl)-2H-phthalazin-1-one is sourced from PubChem (CID 118661389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).