3,3a-dihydropyrrolo[3,4-c]quinolin-4-one

C11H8N2O — CID 139266891

IUPAC3,3a-dihydropyrrolo[3,4-c]quinolin-4-one
SMILESO=C1N=c2ccccc2=C2C=NCC12
InChIInChI=1S/C11H8N2O/c14-11-9-6-12-5-8(9)7-3-1-2-4-10(7)13-11/h1-5,9H,6H2
InChIKeyWRNGNOCTYKVIHW-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.30
Rot. Bonds

About 3,3a-dihydropyrrolo[3,4-c]quinolin-4-one

3,3a-dihydropyrrolo[3,4-c]quinolin-4-one (PubChem CID 139266891) has the molecular formula C11H8N2O and a molecular weight of 184.20 g/mol. Its IUPAC name is 3,3a-dihydropyrrolo[3,4-c]quinolin-4-one.

Molecular Properties

Compound Name3,3a-dihydropyrrolo[3,4-c]quinolin-4-one
PubChem CID139266891
Molecular FormulaC11H8N2O
Molecular Weight184.20 g/mol
Exact Mass184.06
IUPAC Name3,3a-dihydropyrrolo[3,4-c]quinolin-4-one
SMILESO=C1N=c2ccccc2=C2C=NCC12
InChIInChI=1S/C11H8N2O/c14-11-9-6-12-5-8(9)7-3-1-2-4-10(7)13-11/h1-5,9H,6H2
InChIKeyWRNGNOCTYKVIHW-UHFFFAOYSA-N
XLogP-0.30
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8aH-isoquinolin-1-one
CID 45051642
ethane;4-methyl-8aH-isoquinolin-1-one
CID 56630927
4-methyl-8aH-isoquinolin-1-one
CID 56630928
Pyrazolo[3,4-c]quinolin-4-one
CID 57417572
4a,7a-Dihydropyrrolo[3,4-b]pyridin-5-one
CID 67504879
1-Methyl-1,7-dihydropyrrolo[3,2-f]quinolin-2-one
CID 141055442
6-methyl-8aH-isoquinolin-1-one
CID 71303988
7-methyl-8aH-isoquinolin-1-one
CID 72210862
1(2H)-Copyrinone, 3-methyl-
CID 73853351

Frequently Asked Questions

What is the IUPAC name of 3,3a-dihydropyrrolo[3,4-c]quinolin-4-one?
The IUPAC name of 3,3a-dihydropyrrolo[3,4-c]quinolin-4-one (CID 139266891) is 3,3a-dihydropyrrolo[3,4-c]quinolin-4-one.
What is the SMILES notation for 3,3a-dihydropyrrolo[3,4-c]quinolin-4-one?
The canonical SMILES for 3,3a-dihydropyrrolo[3,4-c]quinolin-4-one is O=C1N=c2ccccc2=C2C=NCC12.
What is the InChIKey of 3,3a-dihydropyrrolo[3,4-c]quinolin-4-one?
The InChIKey is WRNGNOCTYKVIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O/c14-11-9-6-12-5-8(9)7-3-1-2-4-10(7)13-11/h1-5,9H,6H2.
What are the key properties of 3,3a-dihydropyrrolo[3,4-c]quinolin-4-one?
3,3a-dihydropyrrolo[3,4-c]quinolin-4-one has a molecular weight of 184.20 g/mol, XLogP of -0.30, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a-dihydropyrrolo[3,4-c]quinolin-4-one is sourced from PubChem (CID 139266891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).