3-(furan-2-yl)prop-1-en-1-one

C7H6O2 — CID 22058153

IUPAC3-(furan-2-yl)prop-1-en-1-one
SMILESO=C=CCc1ccco1
InChIInChI=1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-2,4,6H,3H2
InChIKeyQVIQEBBQTGYEDD-UHFFFAOYSA-N
MW122.12 g/mol
LogP1.21
Rot. Bonds2

About 3-(furan-2-yl)prop-1-en-1-one

3-(furan-2-yl)prop-1-en-1-one (PubChem CID 22058153) has the molecular formula C7H6O2 and a molecular weight of 122.12 g/mol. Its IUPAC name is 3-(furan-2-yl)prop-1-en-1-one.

Molecular Properties

Compound Name3-(furan-2-yl)prop-1-en-1-one
PubChem CID22058153
Molecular FormulaC7H6O2
Molecular Weight122.12 g/mol
Exact Mass122.04
IUPAC Name3-(furan-2-yl)prop-1-en-1-one
SMILESO=C=CCc1ccco1
InChIInChI=1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-2,4,6H,3H2
InChIKeyQVIQEBBQTGYEDD-UHFFFAOYSA-N
XLogP1.21
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5-(furan-2-yl)pent-3-enal
CID 117268161
2-(3-fluoroprop-2-enyl)furan
CID 175355088
4-(furan-2-yl)but-2-en-1-amine
CID 70478448
2-[(E)-hex-2-enyl]furan
CID 13275150
3-(furan-2-yl)-N,N-dimethylprop-1-en-1-amine
CID 150615164
(Z)-4-(furan-2-yl)-N-methylbut-2-en-1-amine
CID 117265852
4-(furan-2-yl)-2-phenylbut-2-enal
CID 174960857
furan-2-ylmethanethiol
CID 158949317
acetaldehyde;2-(chloromethyl)furan
CID 174376101
2-(diselanylmethyl)furan
CID 174958831
2-[5-(furan-2-yl)penta-1,3-dienyl]furan
CID 141170087
2-[2-(furan-2-ylmethyl)-1,3-oxazol-5-yl]acetaldehyde
CID 115087564

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)prop-1-en-1-one?
The IUPAC name of 3-(furan-2-yl)prop-1-en-1-one (CID 22058153) is 3-(furan-2-yl)prop-1-en-1-one.
What is the SMILES notation for 3-(furan-2-yl)prop-1-en-1-one?
The canonical SMILES for 3-(furan-2-yl)prop-1-en-1-one is O=C=CCc1ccco1.
What is the InChIKey of 3-(furan-2-yl)prop-1-en-1-one?
The InChIKey is QVIQEBBQTGYEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2/c8-5-1-3-7-4-2-6-9-7/h1-2,4,6H,3H2.
What are the key properties of 3-(furan-2-yl)prop-1-en-1-one?
3-(furan-2-yl)prop-1-en-1-one has a molecular weight of 122.12 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)prop-1-en-1-one is sourced from PubChem (CID 22058153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).