8'-chloro-1'-methylspiro[cyclopropane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one

C13H10ClN3O — CID 167311008

IUPAC8'-chloro-1'-methylspiro[cyclopropane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one
SMILESCN1C(=O)C2(CC2)c2cc3cnnc(Cl)c3cc21
InChIInChI=1S/C13H10ClN3O/c1-17-10-5-8-7(6-15-16-11(8)14)4-9(10)13(2-3-13)12(17)18/h4-6H,2-3H2,1H3
InChIKeyDWXGPQNHJQRELE-UHFFFAOYSA-N
MW259.70 g/mol
LogP2.29
Rot. Bonds

About 8'-chloro-1'-methylspiro[cyclopropane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one

8'-chloro-1'-methylspiro[cyclopropane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one (PubChem CID 167311008) has the molecular formula C13H10ClN3O and a molecular weight of 259.70 g/mol. Its IUPAC name is 8'-chloro-1'-methylspiro[cyclopropane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one.

Molecular Properties

Compound Name8'-chloro-1'-methylspiro[cyclopropane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one
PubChem CID167311008
Molecular FormulaC13H10ClN3O
Molecular Weight259.70 g/mol
Exact Mass259.05
IUPAC Name8'-chloro-1'-methylspiro[cyclopropane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one
SMILESCN1C(=O)C2(CC2)c2cc3cnnc(Cl)c3cc21
InChIInChI=1S/C13H10ClN3O/c1-17-10-5-8-7(6-15-16-11(8)14)4-9(10)13(2-3-13)12(17)18/h4-6H,2-3H2,1H3
InChIKeyDWXGPQNHJQRELE-UHFFFAOYSA-N
XLogP2.29
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8'-chloro-1'-methylspiro[cyclopropane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one?
The IUPAC name of 8'-chloro-1'-methylspiro[cyclopropane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one (CID 167311008) is 8'-chloro-1'-methylspiro[cyclopropane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one.
What is the SMILES notation for 8'-chloro-1'-methylspiro[cyclopropane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one?
The canonical SMILES for 8'-chloro-1'-methylspiro[cyclopropane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one is CN1C(=O)C2(CC2)c2cc3cnnc(Cl)c3cc21.
What is the InChIKey of 8'-chloro-1'-methylspiro[cyclopropane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one?
The InChIKey is DWXGPQNHJQRELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O/c1-17-10-5-8-7(6-15-16-11(8)14)4-9(10)13(2-3-13)12(17)18/h4-6H,2-3H2,1H3.
What are the key properties of 8'-chloro-1'-methylspiro[cyclopropane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one?
8'-chloro-1'-methylspiro[cyclopropane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one has a molecular weight of 259.70 g/mol, XLogP of 2.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8'-chloro-1'-methylspiro[cyclopropane-1,3'-pyrrolo[3,2-g]phthalazine]-2'-one is sourced from PubChem (CID 167311008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).