3-(furan-2-yl)-1,3,3a,4-tetrahydroindol-2-one

C12H11NO2 — CID 123642608

IUPAC3-(furan-2-yl)-1,3,3a,4-tetrahydroindol-2-one
SMILESO=C1NC2=CC=CCC2C1c1ccco1
InChIInChI=1S/C12H11NO2/c14-12-11(10-6-3-7-15-10)8-4-1-2-5-9(8)13-12/h1-3,5-8,11H,4H2,(H,13,14)
InChIKeyRNHQNJFGLGYUBS-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.95
Rot. Bonds1

About 3-(furan-2-yl)-1,3,3a,4-tetrahydroindol-2-one

3-(furan-2-yl)-1,3,3a,4-tetrahydroindol-2-one (PubChem CID 123642608) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 3-(furan-2-yl)-1,3,3a,4-tetrahydroindol-2-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1,3,3a,4-tetrahydroindol-2-one
PubChem CID123642608
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name3-(furan-2-yl)-1,3,3a,4-tetrahydroindol-2-one
SMILESO=C1NC2=CC=CCC2C1c1ccco1
InChIInChI=1S/C12H11NO2/c14-12-11(10-6-3-7-15-10)8-4-1-2-5-9(8)13-12/h1-3,5-8,11H,4H2,(H,13,14)
InChIKeyRNHQNJFGLGYUBS-UHFFFAOYSA-N
XLogP1.95
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,8S,9S)-8-(furan-2-yl)-2,6-dithia-4,11-diazatricyclo[7.3.0.03,7]dodec-3(7)-ene-5,10,12-trione
CID 11889596
4-(furan-2-yl)-5-phenyloxolan-2-one
CID 144706049
9a,10-dihydro-1H-acridin-9-one
CID 18616822
3-(furan-2-yl)spiro[5.6]dodeca-8,10-diene-1,5-dione
CID 102347424
cis-(1R,2R)-2-(furan-2-yl)-4-oxocyclopentane-1-carbaldehyde
CID 101079486
3-amino-4-(furan-2-yl)azetidin-2-one
CID 82417177
2-(furan-2-yl)-5-azaspiro[2.3]hexane
CID 45282376
2-(2-oxo-1,3,4,5,5a,6-hexahydro-1-benzazepin-3-yl)isoindole-1,3-dione
CID 175194064
3-amino-1,3,4,5,5a,6-hexahydro-1-benzazepin-2-one
CID 172713565
4-(furan-2-yl)-5-methylpyrrolidin-2-one
CID 66108911
(3S,4S)-4-(furan-2-yl)-3-prop-1-en-2-ylazetidin-2-one
CID 131123234
(4R,5R,6R)-4-(furan-2-yl)-5,6-diphenyloxan-2-one
CID 102593358

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1,3,3a,4-tetrahydroindol-2-one?
The IUPAC name of 3-(furan-2-yl)-1,3,3a,4-tetrahydroindol-2-one (CID 123642608) is 3-(furan-2-yl)-1,3,3a,4-tetrahydroindol-2-one.
What is the SMILES notation for 3-(furan-2-yl)-1,3,3a,4-tetrahydroindol-2-one?
The canonical SMILES for 3-(furan-2-yl)-1,3,3a,4-tetrahydroindol-2-one is O=C1NC2=CC=CCC2C1c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-1,3,3a,4-tetrahydroindol-2-one?
The InChIKey is RNHQNJFGLGYUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c14-12-11(10-6-3-7-15-10)8-4-1-2-5-9(8)13-12/h1-3,5-8,11H,4H2,(H,13,14).
What are the key properties of 3-(furan-2-yl)-1,3,3a,4-tetrahydroindol-2-one?
3-(furan-2-yl)-1,3,3a,4-tetrahydroindol-2-one has a molecular weight of 201.23 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1,3,3a,4-tetrahydroindol-2-one is sourced from PubChem (CID 123642608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).