furan-2-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone

C10H11NO2 — CID 141122677

IUPACfuran-2-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone
SMILESO=C(c1ccco1)C1CCC=CN1
InChIInChI=1S/C10H11NO2/c12-10(9-5-3-7-13-9)8-4-1-2-6-11-8/h2-3,5-8,11H,1,4H2
InChIKeyVQAOZVDLAWARGX-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.73
Rot. Bonds2

About furan-2-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone

furan-2-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone (PubChem CID 141122677) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is furan-2-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone
PubChem CID141122677
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Namefuran-2-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone
SMILESO=C(c1ccco1)C1CCC=CN1
InChIInChI=1S/C10H11NO2/c12-10(9-5-3-7-13-9)8-4-1-2-6-11-8/h2-3,5-8,11H,1,4H2
InChIKeyVQAOZVDLAWARGX-UHFFFAOYSA-N
XLogP1.73
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl(furan-2-yl)methanone
CID 116549349
1,2,3,4,4a,5,6,7,8,8a-decahydroquinolin-2-yl(furan-2-yl)methanone
CID 116586098
2,3-dihydro-1H-inden-2-yl(furan-2-yl)methanone
CID 65408377
3-azabicyclo[3.3.1]nonan-7-yl(furan-2-yl)methanone
CID 25094463
(3,4-dimethylcyclohexyl)-(furan-2-yl)methanone
CID 64738417
furan-2-yl-[2-(trifluoromethyl)cyclohexyl]methanone
CID 105099254
6-(furan-2-carbonyl)spiro[2.4]heptan-7-one
CID 165474394
cyclopentyl furan-2-carboxylate
CID 565207
furan-2-yl-[2-(trifluoromethyl)cyclopropyl]methanone
CID 122389475
1,4-bis(furan-2-yl)-2,3-dihydroxybutane-1,4-dione
CID 121014452
(2,2-dimethylcyclohexyl)-(furan-2-yl)methanone
CID 107176485
(5S)-5-[2-(furan-2-yl)-2-oxoethyl]pyrrolidin-2-one
CID 11608079

Frequently Asked Questions

What is the IUPAC name of furan-2-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone?
The IUPAC name of furan-2-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone (CID 141122677) is furan-2-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone.
What is the SMILES notation for furan-2-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone?
The canonical SMILES for furan-2-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone is O=C(c1ccco1)C1CCC=CN1.
What is the InChIKey of furan-2-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone?
The InChIKey is VQAOZVDLAWARGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO2/c12-10(9-5-3-7-13-9)8-4-1-2-6-11-8/h2-3,5-8,11H,1,4H2.
What are the key properties of furan-2-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone?
furan-2-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone has a molecular weight of 177.20 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl(1,2,3,4-tetrahydropyridin-2-yl)methanone is sourced from PubChem (CID 141122677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).