2-(5-chloropentyl)phthalazin-1-one

C13H15ClN2O — CID 43348317

IUPAC2-(5-chloropentyl)phthalazin-1-one
SMILESO=c1c2ccccc2cnn1CCCCCCl
InChIInChI=1S/C13H15ClN2O/c14-8-4-1-5-9-16-13(17)12-7-3-2-6-11(12)10-15-16/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyAJLHTDRABOOTSY-UHFFFAOYSA-N
MW250.73 g/mol
LogP2.81
Rot. Bonds5

About 2-(5-chloropentyl)phthalazin-1-one

2-(5-chloropentyl)phthalazin-1-one (PubChem CID 43348317) has the molecular formula C13H15ClN2O and a molecular weight of 250.73 g/mol. Its IUPAC name is 2-(5-chloropentyl)phthalazin-1-one.

Molecular Properties

Compound Name2-(5-chloropentyl)phthalazin-1-one
PubChem CID43348317
Molecular FormulaC13H15ClN2O
Molecular Weight250.73 g/mol
Exact Mass250.09
IUPAC Name2-(5-chloropentyl)phthalazin-1-one
SMILESO=c1c2ccccc2cnn1CCCCCCl
InChIInChI=1S/C13H15ClN2O/c14-8-4-1-5-9-16-13(17)12-7-3-2-6-11(12)10-15-16/h2-3,6-7,10H,1,4-5,8-9H2
InChIKeyAJLHTDRABOOTSY-UHFFFAOYSA-N
XLogP2.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(1-oxophthalazin-2-yl)pentanoic acid
CID 28971824
2-(3-oxobutyl)phthalazin-1-one
CID 60724062
2-[4-oxo-5-(2-oxobutylsulfanyl)pentyl]phthalazin-1-one
CID 167672026
1-(4-chlorobutyl)indazole
CID 62140548
2-[2-(dimethylamino)ethyl]phthalazin-1-one;hydrochloride
CID 3057187
2,2-dimethyl-4-(1-oxophthalazin-2-yl)butanoic acid
CID 65248238
2-[2-(2-phenoxyethoxy)ethyl]phthalazin-1-one
CID 2299361
2-(2,2-dimethylpropyl)phthalazin-1-one
CID 122497308
2-prop-2-enylphthalazin-1-one
CID 18989461
2-phenacylphthalazin-1-one
CID 60774188
2-(1-oxophthalazin-2-yl)ethyl 2-naphthalen-1-ylacetate
CID 159221966
2-[2-(1-oxophthalazin-2-yl)ethoxy]ethyl acetate
CID 10754920

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloropentyl)phthalazin-1-one?
The IUPAC name of 2-(5-chloropentyl)phthalazin-1-one (CID 43348317) is 2-(5-chloropentyl)phthalazin-1-one.
What is the SMILES notation for 2-(5-chloropentyl)phthalazin-1-one?
The canonical SMILES for 2-(5-chloropentyl)phthalazin-1-one is O=c1c2ccccc2cnn1CCCCCCl.
What is the InChIKey of 2-(5-chloropentyl)phthalazin-1-one?
The InChIKey is AJLHTDRABOOTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O/c14-8-4-1-5-9-16-13(17)12-7-3-2-6-11(12)10-15-16/h2-3,6-7,10H,1,4-5,8-9H2.
What are the key properties of 2-(5-chloropentyl)phthalazin-1-one?
2-(5-chloropentyl)phthalazin-1-one has a molecular weight of 250.73 g/mol, XLogP of 2.81, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloropentyl)phthalazin-1-one is sourced from PubChem (CID 43348317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).