4-chloro-7-cyclopropyl-2H-phthalazin-1-one

C11H9ClN2O — CID 177312860

IUPAC4-chloro-7-cyclopropyl-2H-phthalazin-1-one
SMILESO=c1[nH]nc(Cl)c2ccc(C3CC3)cc12
InChIInChI=1S/C11H9ClN2O/c12-10-8-4-3-7(6-1-2-6)5-9(8)11(15)14-13-10/h3-6H,1-2H2,(H,14,15)
InChIKeyCOEVDDQFECTGPB-UHFFFAOYSA-N
MW220.66 g/mol
LogP2.45
Rot. Bonds1

About 4-chloro-7-cyclopropyl-2H-phthalazin-1-one

4-chloro-7-cyclopropyl-2H-phthalazin-1-one (PubChem CID 177312860) has the molecular formula C11H9ClN2O and a molecular weight of 220.66 g/mol. Its IUPAC name is 4-chloro-7-cyclopropyl-2H-phthalazin-1-one.

Molecular Properties

Compound Name4-chloro-7-cyclopropyl-2H-phthalazin-1-one
PubChem CID177312860
Molecular FormulaC11H9ClN2O
Molecular Weight220.66 g/mol
Exact Mass220.04
IUPAC Name4-chloro-7-cyclopropyl-2H-phthalazin-1-one
SMILESO=c1[nH]nc(Cl)c2ccc(C3CC3)cc12
InChIInChI=1S/C11H9ClN2O/c12-10-8-4-3-7(6-1-2-6)5-9(8)11(15)14-13-10/h3-6H,1-2H2,(H,14,15)
InChIKeyCOEVDDQFECTGPB-UHFFFAOYSA-N
XLogP2.45
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.66
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-7-cyclopropyl-2H-phthalazin-1-one?
The IUPAC name of 4-chloro-7-cyclopropyl-2H-phthalazin-1-one (CID 177312860) is 4-chloro-7-cyclopropyl-2H-phthalazin-1-one.
What is the SMILES notation for 4-chloro-7-cyclopropyl-2H-phthalazin-1-one?
The canonical SMILES for 4-chloro-7-cyclopropyl-2H-phthalazin-1-one is O=c1[nH]nc(Cl)c2ccc(C3CC3)cc12.
What is the InChIKey of 4-chloro-7-cyclopropyl-2H-phthalazin-1-one?
The InChIKey is COEVDDQFECTGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O/c12-10-8-4-3-7(6-1-2-6)5-9(8)11(15)14-13-10/h3-6H,1-2H2,(H,14,15).
What are the key properties of 4-chloro-7-cyclopropyl-2H-phthalazin-1-one?
4-chloro-7-cyclopropyl-2H-phthalazin-1-one has a molecular weight of 220.66 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-7-cyclopropyl-2H-phthalazin-1-one is sourced from PubChem (CID 177312860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).