7-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one

C11H10FNO — CID 13368800

IUPAC7-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
SMILESO=C1CC2Cc3ccc(F)cc3C2N1
InChIInChI=1S/C11H10FNO/c12-8-2-1-6-3-7-4-10(14)13-11(7)9(6)5-8/h1-2,5,7,11H,3-4H2,(H,13,14)
InChIKeyCNNXUPJPZYRJHP-UHFFFAOYSA-N
MW191.21 g/mol
LogP1.56
Rot. Bonds

About 7-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one

7-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one (PubChem CID 13368800) has the molecular formula C11H10FNO and a molecular weight of 191.21 g/mol. Its IUPAC name is 7-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one.

Molecular Properties

Compound Name7-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
PubChem CID13368800
Molecular FormulaC11H10FNO
Molecular Weight191.21 g/mol
Exact Mass191.07
IUPAC Name7-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one
SMILESO=C1CC2Cc3ccc(F)cc3C2N1
InChIInChI=1S/C11H10FNO/c12-8-2-1-6-3-7-4-10(14)13-11(7)9(6)5-8/h1-2,5,7,11H,3-4H2,(H,13,14)
InChIKeyCNNXUPJPZYRJHP-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one?
The IUPAC name of 7-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one (CID 13368800) is 7-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one.
What is the SMILES notation for 7-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one?
The canonical SMILES for 7-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one is O=C1CC2Cc3ccc(F)cc3C2N1.
What is the InChIKey of 7-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one?
The InChIKey is CNNXUPJPZYRJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FNO/c12-8-2-1-6-3-7-4-10(14)13-11(7)9(6)5-8/h1-2,5,7,11H,3-4H2,(H,13,14).
What are the key properties of 7-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one?
7-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one has a molecular weight of 191.21 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3,3a,4,8b-tetrahydro-1H-indeno[1,2-b]pyrrol-2-one is sourced from PubChem (CID 13368800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).