2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one

C12H13NO — CID 56612599

IUPAC2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one
SMILESO=C1CC2CCCN2c2ccccc21
InChIInChI=1S/C12H13NO/c14-12-8-9-4-3-7-13(9)11-6-2-1-5-10(11)12/h1-2,5-6,9H,3-4,7-8H2
InChIKeyNRJUNJPXCAKOMO-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.24
Rot. Bonds

About 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one

2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one (PubChem CID 56612599) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one.

Molecular Properties

Compound Name2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one
PubChem CID56612599
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one
SMILESO=C1CC2CCCN2c2ccccc21
InChIInChI=1S/C12H13NO/c14-12-8-9-4-3-7-13(9)11-6-2-1-5-10(11)12/h1-2,5-6,9H,3-4,7-8H2
InChIKeyNRJUNJPXCAKOMO-UHFFFAOYSA-N
XLogP2.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one?
The IUPAC name of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one (CID 56612599) is 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one.
What is the SMILES notation for 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one?
The canonical SMILES for 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one is O=C1CC2CCCN2c2ccccc21.
What is the InChIKey of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one?
The InChIKey is NRJUNJPXCAKOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c14-12-8-9-4-3-7-13(9)11-6-2-1-5-10(11)12/h1-2,5-6,9H,3-4,7-8H2.
What are the key properties of 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one?
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one has a molecular weight of 187.24 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one is sourced from PubChem (CID 56612599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).