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

C12H12FNO — CID 71503827

IUPAC6-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one
SMILESO=C1CC2CCCN2c2cccc(F)c21
InChIInChI=1S/C12H12FNO/c13-9-4-1-5-10-12(9)11(15)7-8-3-2-6-14(8)10/h1,4-5,8H,2-3,6-7H2
InChIKeyLUPOVESKJRCPAN-UHFFFAOYSA-N
MW205.23 g/mol
LogP2.38
Rot. Bonds

About 6-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one

6-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one (PubChem CID 71503827) has the molecular formula C12H12FNO and a molecular weight of 205.23 g/mol. Its IUPAC name is 6-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one.

Molecular Properties

Compound Name6-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one
PubChem CID71503827
Molecular FormulaC12H12FNO
Molecular Weight205.23 g/mol
Exact Mass205.09
IUPAC Name6-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one
SMILESO=C1CC2CCCN2c2cccc(F)c21
InChIInChI=1S/C12H12FNO/c13-9-4-1-5-10-12(9)11(15)7-8-3-2-6-14(8)10/h1,4-5,8H,2-3,6-7H2
InChIKeyLUPOVESKJRCPAN-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one?
The IUPAC name of 6-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one (CID 71503827) is 6-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one.
What is the SMILES notation for 6-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one?
The canonical SMILES for 6-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one is O=C1CC2CCCN2c2cccc(F)c21.
What is the InChIKey of 6-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one?
The InChIKey is LUPOVESKJRCPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO/c13-9-4-1-5-10-12(9)11(15)7-8-3-2-6-14(8)10/h1,4-5,8H,2-3,6-7H2.
What are the key properties of 6-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one?
6-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one has a molecular weight of 205.23 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]quinolin-5-one is sourced from PubChem (CID 71503827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).