3-(furan-2-yl)-1-[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]prop-2-en-1-one

C21H23NO4 — CID 171147575

IUPAC3-(furan-2-yl)-1-[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]prop-2-en-1-one
SMILESCO[C@@H]1CN(C(=O)C=Cc2ccco2)C[C@]12C[C@@H](c1ccccc1)CO2
InChIInChI=1S/C21H23NO4/c1-24-19-13-22(20(23)10-9-18-8-5-11-25-18)15-21(19)12-17(14-26-21)16-6-3-2-4-7-16/h2-11,17,19H,12-15H2,1H3/t17-,19-,21-/m1/s1
InChIKeyRVNCXGYFVDJVEN-YFVAEKQCSA-N
MW353.42 g/mol
LogP3.09
Rot. Bonds4

About 3-(furan-2-yl)-1-[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]prop-2-en-1-one

3-(furan-2-yl)-1-[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]prop-2-en-1-one (PubChem CID 171147575) has the molecular formula C21H23NO4 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-(furan-2-yl)-1-[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)-1-[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]prop-2-en-1-one
PubChem CID171147575
Molecular FormulaC21H23NO4
Molecular Weight353.42 g/mol
Exact Mass353.16
IUPAC Name3-(furan-2-yl)-1-[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]prop-2-en-1-one
SMILESCO[C@@H]1CN(C(=O)C=Cc2ccco2)C[C@]12C[C@@H](c1ccccc1)CO2
InChIInChI=1S/C21H23NO4/c1-24-19-13-22(20(23)10-9-18-8-5-11-25-18)15-21(19)12-17(14-26-21)16-6-3-2-4-7-16/h2-11,17,19H,12-15H2,1H3/t17-,19-,21-/m1/s1
InChIKeyRVNCXGYFVDJVEN-YFVAEKQCSA-N
XLogP3.09
TPSA51.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[(3R,5R,9R)-3-(3-fluorophenyl)-9-methoxy-1-oxa-7-azaspiro[4.4]nonan-7-yl]-(1,3-oxazol-4-yl)methanone
CID 155996736
methyl 1-[3-(furan-2-yl)prop-2-enoyl]pyrrolidine-3-carboxylate
CID 78968036
1-[3-(furan-2-yl)prop-2-enoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 76986393
1-[(E)-3-(furan-2-yl)prop-2-enoyl]pyrrolidine-3-carboxylic acid
CID 63007276
3-(furan-2-yl)-1-(4-methylpiperazin-1-yl)prop-2-en-1-one
CID 963828
2-[1-[3-(furan-2-yl)prop-2-enoyl]pyrrolidin-3-yl]acetic acid
CID 77104443
(E)-1-[(7S)-1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 129356062
(E)-1-[(7R)-1,1-dioxo-7-phenyl-1,4-thiazepan-4-yl]-3-(furan-2-yl)prop-2-en-1-one
CID 129356064
(E)-1-(3-aminopiperidin-1-yl)-3-(furan-2-yl)prop-2-en-1-one
CID 82234987
3-(furan-2-yl)-1-(3-hydroxy-3-propylazetidin-1-yl)prop-2-en-1-one
CID 77104016
(E)-3-(furan-2-yl)-1-[3-(methylamino)pyrrolidin-1-yl]prop-2-en-1-one
CID 81469240
3-(furan-2-yl)-1-[4-(2-methoxyethyl)piperidin-1-yl]prop-2-en-1-one
CID 171136537

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-1-[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]prop-2-en-1-one?
The IUPAC name of 3-(furan-2-yl)-1-[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]prop-2-en-1-one (CID 171147575) is 3-(furan-2-yl)-1-[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]prop-2-en-1-one.
What is the SMILES notation for 3-(furan-2-yl)-1-[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]prop-2-en-1-one?
The canonical SMILES for 3-(furan-2-yl)-1-[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]prop-2-en-1-one is CO[C@@H]1CN(C(=O)C=Cc2ccco2)C[C@]12C[C@@H](c1ccccc1)CO2.
What is the InChIKey of 3-(furan-2-yl)-1-[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]prop-2-en-1-one?
The InChIKey is RVNCXGYFVDJVEN-YFVAEKQCSA-N. The full InChI is InChI=1S/C21H23NO4/c1-24-19-13-22(20(23)10-9-18-8-5-11-25-18)15-21(19)12-17(14-26-21)16-6-3-2-4-7-16/h2-11,17,19H,12-15H2,1H3/t17-,19-,21-/m1/s1.
What are the key properties of 3-(furan-2-yl)-1-[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]prop-2-en-1-one?
3-(furan-2-yl)-1-[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]prop-2-en-1-one has a molecular weight of 353.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-1-[(3S,5R,9R)-9-methoxy-3-phenyl-1-oxa-7-azaspiro[4.4]nonan-7-yl]prop-2-en-1-one is sourced from PubChem (CID 171147575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).