5-prop-1-enyl-3H-furan-2-one

C7H8O2 — CID 85106623

IUPAC5-prop-1-enyl-3H-furan-2-one
SMILESCC=CC1=CCC(=O)O1
InChIInChI=1S/C7H8O2/c1-2-3-6-4-5-7(8)9-6/h2-4H,5H2,1H3
InChIKeyWSRLTPATSQQECQ-UHFFFAOYSA-N
MW124.14 g/mol
LogP1.39
Rot. Bonds1

About 5-prop-1-enyl-3H-furan-2-one

5-prop-1-enyl-3H-furan-2-one (PubChem CID 85106623) has the molecular formula C7H8O2 and a molecular weight of 124.14 g/mol. Its IUPAC name is 5-prop-1-enyl-3H-furan-2-one.

Molecular Properties

Compound Name5-prop-1-enyl-3H-furan-2-one
PubChem CID85106623
Molecular FormulaC7H8O2
Molecular Weight124.14 g/mol
Exact Mass124.05
IUPAC Name5-prop-1-enyl-3H-furan-2-one
SMILESCC=CC1=CCC(=O)O1
InChIInChI=1S/C7H8O2/c1-2-3-6-4-5-7(8)9-6/h2-4H,5H2,1H3
InChIKeyWSRLTPATSQQECQ-UHFFFAOYSA-N
XLogP1.39
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(trifluoromethyl)-3H-furan-2-one
CID 67880347
4-prop-1-enyl-1,3-dioxole
CID 141171884
4-[(Z)-prop-1-enyl]-1,3-dioxole
CID 126669496
3H-chromene-2,7-dione
CID 66990839
1-ethyl-3-prop-1-enylcyclopenta-1,3-diene
CID 57313548
8H-pyrano[2,3-g]chromene-3,7-dione
CID 23618291
6-methyl-2-[(E)-prop-1-enyl]-3a,4a,7a,8a-tetrahydrofuro[2,3-f][1]benzofuran-4,8-dione
CID 166512359
2-hydroxy-3-(3-methylbut-2-enyl)-2,5-dihydropyran-6-one
CID 130127700
furan-2,5-dione;hexa-2,4-diene
CID 175511286
(5Z)-2,5-dimethyl-2,3,4,7-tetrahydrooxocin-8-one
CID 101003542
6-ethenyl-5-[(Z)-prop-1-enyl]-4H-1,4-oxazin-3-one
CID 134485479
5-methylidene-4-prop-1-enyl-2H-furan
CID 123639745

Frequently Asked Questions

What is the IUPAC name of 5-prop-1-enyl-3H-furan-2-one?
The IUPAC name of 5-prop-1-enyl-3H-furan-2-one (CID 85106623) is 5-prop-1-enyl-3H-furan-2-one.
What is the SMILES notation for 5-prop-1-enyl-3H-furan-2-one?
The canonical SMILES for 5-prop-1-enyl-3H-furan-2-one is CC=CC1=CCC(=O)O1.
What is the InChIKey of 5-prop-1-enyl-3H-furan-2-one?
The InChIKey is WSRLTPATSQQECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O2/c1-2-3-6-4-5-7(8)9-6/h2-4H,5H2,1H3.
What are the key properties of 5-prop-1-enyl-3H-furan-2-one?
5-prop-1-enyl-3H-furan-2-one has a molecular weight of 124.14 g/mol, XLogP of 1.39, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-enyl-3H-furan-2-one is sourced from PubChem (CID 85106623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).