1,5-dimethylspiro[7H-pyrrolo[3,2-g]phthalazine-3,1'-cyclopropane]-2,8-dione

C14H13N3O2 — CID 167310769

IUPAC1,5-dimethylspiro[7H-pyrrolo[3,2-g]phthalazine-3,1'-cyclopropane]-2,8-dione
SMILESCc1n[nH]c(=O)c2cc3c(cc12)C1(CC1)C(=O)N3C
InChIInChI=1S/C14H13N3O2/c1-7-8-5-10-11(6-9(8)12(18)16-15-7)17(2)13(19)14(10)3-4-14/h5-6H,3-4H2,1-2H3,(H,16,18)
InChIKeyVYCDSUVYKULYIU-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.24
Rot. Bonds

About 1,5-dimethylspiro[7H-pyrrolo[3,2-g]phthalazine-3,1'-cyclopropane]-2,8-dione

1,5-dimethylspiro[7H-pyrrolo[3,2-g]phthalazine-3,1'-cyclopropane]-2,8-dione (PubChem CID 167310769) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 1,5-dimethylspiro[7H-pyrrolo[3,2-g]phthalazine-3,1'-cyclopropane]-2,8-dione.

Molecular Properties

Compound Name1,5-dimethylspiro[7H-pyrrolo[3,2-g]phthalazine-3,1'-cyclopropane]-2,8-dione
PubChem CID167310769
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name1,5-dimethylspiro[7H-pyrrolo[3,2-g]phthalazine-3,1'-cyclopropane]-2,8-dione
SMILESCc1n[nH]c(=O)c2cc3c(cc12)C1(CC1)C(=O)N3C
InChIInChI=1S/C14H13N3O2/c1-7-8-5-10-11(6-9(8)12(18)16-15-7)17(2)13(19)14(10)3-4-14/h5-6H,3-4H2,1-2H3,(H,16,18)
InChIKeyVYCDSUVYKULYIU-UHFFFAOYSA-N
XLogP1.24
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethylspiro[7H-pyrrolo[3,2-g]phthalazine-3,1'-cyclopropane]-2,8-dione?
The IUPAC name of 1,5-dimethylspiro[7H-pyrrolo[3,2-g]phthalazine-3,1'-cyclopropane]-2,8-dione (CID 167310769) is 1,5-dimethylspiro[7H-pyrrolo[3,2-g]phthalazine-3,1'-cyclopropane]-2,8-dione.
What is the SMILES notation for 1,5-dimethylspiro[7H-pyrrolo[3,2-g]phthalazine-3,1'-cyclopropane]-2,8-dione?
The canonical SMILES for 1,5-dimethylspiro[7H-pyrrolo[3,2-g]phthalazine-3,1'-cyclopropane]-2,8-dione is Cc1n[nH]c(=O)c2cc3c(cc12)C1(CC1)C(=O)N3C.
What is the InChIKey of 1,5-dimethylspiro[7H-pyrrolo[3,2-g]phthalazine-3,1'-cyclopropane]-2,8-dione?
The InChIKey is VYCDSUVYKULYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c1-7-8-5-10-11(6-9(8)12(18)16-15-7)17(2)13(19)14(10)3-4-14/h5-6H,3-4H2,1-2H3,(H,16,18).
What are the key properties of 1,5-dimethylspiro[7H-pyrrolo[3,2-g]phthalazine-3,1'-cyclopropane]-2,8-dione?
1,5-dimethylspiro[7H-pyrrolo[3,2-g]phthalazine-3,1'-cyclopropane]-2,8-dione has a molecular weight of 255.28 g/mol, XLogP of 1.24, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethylspiro[7H-pyrrolo[3,2-g]phthalazine-3,1'-cyclopropane]-2,8-dione is sourced from PubChem (CID 167310769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).