4-cyclopentyl-2H-phthalazin-1-one

C13H14N2O — CID 852172

IUPAC4-cyclopentyl-2H-phthalazin-1-one
SMILESO=c1[nH]nc(C2CCCC2)c2ccccc12
InChIInChI=1S/C13H14N2O/c16-13-11-8-4-3-7-10(11)12(14-15-13)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,15,16)
InChIKeyLYZFVGGPECDYFZ-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.58
Rot. Bonds1

About 4-cyclopentyl-2H-phthalazin-1-one

4-cyclopentyl-2H-phthalazin-1-one (PubChem CID 852172) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is 4-cyclopentyl-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-cyclopentyl-2H-phthalazin-1-one
PubChem CID852172
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name4-cyclopentyl-2H-phthalazin-1-one
SMILESO=c1[nH]nc(C2CCCC2)c2ccccc12
InChIInChI=1S/C13H14N2O/c16-13-11-8-4-3-7-10(11)12(14-15-13)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,15,16)
InChIKeyLYZFVGGPECDYFZ-UHFFFAOYSA-N
XLogP2.58
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-2H-phthalazin-1-one?
The IUPAC name of 4-cyclopentyl-2H-phthalazin-1-one (CID 852172) is 4-cyclopentyl-2H-phthalazin-1-one.
What is the SMILES notation for 4-cyclopentyl-2H-phthalazin-1-one?
The canonical SMILES for 4-cyclopentyl-2H-phthalazin-1-one is O=c1[nH]nc(C2CCCC2)c2ccccc12.
What is the InChIKey of 4-cyclopentyl-2H-phthalazin-1-one?
The InChIKey is LYZFVGGPECDYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O/c16-13-11-8-4-3-7-10(11)12(14-15-13)9-5-1-2-6-9/h3-4,7-9H,1-2,5-6H2,(H,15,16).
What are the key properties of 4-cyclopentyl-2H-phthalazin-1-one?
4-cyclopentyl-2H-phthalazin-1-one has a molecular weight of 214.27 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-2H-phthalazin-1-one is sourced from PubChem (CID 852172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).