5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one

C11H12O3 — CID 23250320

IUPAC5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one
SMILESCC(C)=C1OC(c2ccco2)CC1=O
InChIInChI=1S/C11H12O3/c1-7(2)11-8(12)6-10(14-11)9-4-3-5-13-9/h3-5,10H,6H2,1-2H3
InChIKeyFCPQCRFPNKBWSC-UHFFFAOYSA-N
MW192.21 g/mol
LogP2.60
Rot. Bonds1

About 5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one

5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one (PubChem CID 23250320) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one.

Molecular Properties

Compound Name5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one
PubChem CID23250320
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one
SMILESCC(C)=C1OC(c2ccco2)CC1=O
InChIInChI=1S/C11H12O3/c1-7(2)11-8(12)6-10(14-11)9-4-3-5-13-9/h3-5,10H,6H2,1-2H3
InChIKeyFCPQCRFPNKBWSC-UHFFFAOYSA-N
XLogP2.60
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(furan-2-yl)-3-(oxomethylidene)oxolan-2-one
CID 86741509
(3S,4aR)-3-(furan-2-yl)-3,4,4a,5-tetrahydro-1H-cyclopenta[c]pyran-6-one
CID 15981595
2-(furan-2-yl)-1,3-oxathiolan-5-one
CID 139228180
(4S)-5-acetyl-4-(furan-2-yl)-6-methyl-3,4-dihydropyran-2-one
CID 132597033
(4S,6R)-2,2-ditert-butyl-4-[(4S,6R)-2,2-ditert-butyl-6-(furan-2-yl)-1,3,2-dioxasilinan-4-yl]-6-(furan-2-yl)-1,3,2-dioxasilinane
CID 12027174
(2S,4R)-4-(furan-2-yl)-2-hydroxy-3,4,5,6-tetrahydro-2H-cyclopenta[b]pyran-7-one
CID 134862482
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
3-(furan-2-yl)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-one
CID 13032245
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
(2S,3S)-2-(furan-2-yl)-3,4-dihydro-2H-chromen-3-ol
CID 168762985
3-ethyl-2-(furan-2-yl)-1,3-thiazolidin-4-one
CID 3800198

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one?
The IUPAC name of 5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one (CID 23250320) is 5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one.
What is the SMILES notation for 5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one?
The canonical SMILES for 5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one is CC(C)=C1OC(c2ccco2)CC1=O.
What is the InChIKey of 5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one?
The InChIKey is FCPQCRFPNKBWSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-7(2)11-8(12)6-10(14-11)9-4-3-5-13-9/h3-5,10H,6H2,1-2H3.
What are the key properties of 5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one?
5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one has a molecular weight of 192.21 g/mol, XLogP of 2.60, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-propan-2-ylideneoxolan-3-one is sourced from PubChem (CID 23250320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).