1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione

C12H11NO2 — CID 13150081

IUPAC1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione
SMILESO=C1c2ccccc2CN2C(=O)CCC12
InChIInChI=1S/C12H11NO2/c14-11-6-5-10-12(15)9-4-2-1-3-8(9)7-13(10)11/h1-4,10H,5-7H2
InChIKeyLBXRLFJWQZJFGJ-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.37
Rot. Bonds

About 1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione

1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione (PubChem CID 13150081) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione.

Molecular Properties

Compound Name1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione
PubChem CID13150081
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione
SMILESO=C1c2ccccc2CN2C(=O)CCC12
InChIInChI=1S/C12H11NO2/c14-11-6-5-10-12(15)9-4-2-1-3-8(9)7-13(10)11/h1-4,10H,5-7H2
InChIKeyLBXRLFJWQZJFGJ-UHFFFAOYSA-N
XLogP1.37
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione?
The IUPAC name of 1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione (CID 13150081) is 1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione.
What is the SMILES notation for 1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione?
The canonical SMILES for 1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione is O=C1c2ccccc2CN2C(=O)CCC12.
What is the InChIKey of 1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione?
The InChIKey is LBXRLFJWQZJFGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-11-6-5-10-12(15)9-4-2-1-3-8(9)7-13(10)11/h1-4,10H,5-7H2.
What are the key properties of 1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione?
1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione has a molecular weight of 201.23 g/mol, XLogP of 1.37, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,5,10a-tetrahydropyrrolo[1,2-b]isoquinoline-3,10-dione is sourced from PubChem (CID 13150081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).