6-fluoro-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one

C11H10FNO — CID 121223710

IUPAC6-fluoro-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one
SMILESO=C1CCC2Cc3cc(F)ccc3N12
InChIInChI=1S/C11H10FNO/c12-8-1-3-10-7(5-8)6-9-2-4-11(14)13(9)10/h1,3,5,9H,2,4,6H2
InChIKeySBBWWWMQTUEDCM-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.88
Rot. Bonds

About 6-fluoro-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one

6-fluoro-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one (PubChem CID 121223710) has the molecular formula C11H10FNO and a molecular weight of 191.21 g/mol. Its IUPAC name is 6-fluoro-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one.

Molecular Properties

Compound Name6-fluoro-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one
PubChem CID121223710
Molecular FormulaC11H10FNO
Molecular Weight191.21 g/mol
Exact Mass191.07
IUPAC Name6-fluoro-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one
SMILESO=C1CCC2Cc3cc(F)ccc3N12
InChIInChI=1S/C11H10FNO/c12-8-1-3-10-7(5-8)6-9-2-4-11(14)13(9)10/h1,3,5,9H,2,4,6H2
InChIKeySBBWWWMQTUEDCM-UHFFFAOYSA-N
XLogP1.88
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one?
The IUPAC name of 6-fluoro-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one (CID 121223710) is 6-fluoro-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one.
What is the SMILES notation for 6-fluoro-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one?
The canonical SMILES for 6-fluoro-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one is O=C1CCC2Cc3cc(F)ccc3N12.
What is the InChIKey of 6-fluoro-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one?
The InChIKey is SBBWWWMQTUEDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c12-8-1-3-10-7(5-8)6-9-2-4-11(14)13(9)10/h1,3,5,9H,2,4,6H2.
What are the key properties of 6-fluoro-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one?
6-fluoro-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one has a molecular weight of 191.21 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2,3,3a,4-tetrahydropyrrolo[1,2-a]indol-1-one is sourced from PubChem (CID 121223710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).