3-(furan-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one

C14H17NO3 — CID 76952514

IUPAC3-(furan-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one
SMILESO=C(C=Cc1ccco1)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H17NO3/c16-12-8-10-3-4-11(9-12)15(10)14(17)6-5-13-2-1-7-18-13/h1-2,5-7,10-12,16H,3-4,8-9H2
InChIKeyWRFWWMJCWLAQKE-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.81
Rot. Bonds2

About 3-(furan-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one

3-(furan-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one (PubChem CID 76952514) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one
PubChem CID76952514
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name3-(furan-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one
SMILESO=C(C=Cc1ccco1)N1C2CCC1CC(O)C2
InChIInChI=1S/C14H17NO3/c16-12-8-10-3-4-11(9-12)15(10)14(17)6-5-13-2-1-7-18-13/h1-2,5-7,10-12,16H,3-4,8-9H2
InChIKeyWRFWWMJCWLAQKE-UHFFFAOYSA-N
XLogP1.81
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 3-(furan-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(furan-2-yl)-1-(3-pyrazol-1-yl-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one
CID 171139184
(E)-3-(furan-2-yl)-1-[3-(1,2,4-triazol-1-yl)-8-azabicyclo[3.2.1]octan-8-yl]prop-2-en-1-one
CID 131703799
(2S,3aS,7aR)-1-[(Z)-3-(furan-2-yl)prop-2-enoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylic acid
CID 129353997
3-(furan-2-yl)prop-2-enoyl chloride
CID 53411285
1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)-3-(4-methylphenyl)prop-2-en-1-one
CID 76952496
methyl 1-[(E)-3-(furan-2-yl)prop-2-enoyl]-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate
CID 51112298
3-[(E)-3-(furan-2-yl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 139256760
3-(2,4-dimethylphenyl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one
CID 76952500
1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 63007276
(E)-3-(furan-2-yl)-1-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 124892451
3-(furan-2-yl)-1-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]prop-2-en-1-one
CID 110887300
3-[1-[(E)-3-(furan-2-yl)prop-2-enoyl]azetidin-3-yl]imidazolidine-2,4-dione
CID 121017214

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one?
The IUPAC name of 3-(furan-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one (CID 76952514) is 3-(furan-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one is O=C(C=Cc1ccco1)N1C2CCC1CC(O)C2.
What is the InChIKey of 3-(furan-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one?
The InChIKey is WRFWWMJCWLAQKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c16-12-8-10-3-4-11(9-12)15(10)14(17)6-5-13-2-1-7-18-13/h1-2,5-7,10-12,16H,3-4,8-9H2.
What are the key properties of 3-(furan-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one?
3-(furan-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one has a molecular weight of 247.29 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)prop-2-en-1-one is sourced from PubChem (CID 76952514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).