1-[(4Z,5E)-4,5-bis(prop-2-enylidene)furan-2-yl]ethanone

C12H12O2 — CID 126594024

IUPAC1-[(4Z,5E)-4,5-bis(prop-2-enylidene)furan-2-yl]ethanone
SMILESC=C/C=c1/cc(C(C)=O)o/c1=C/C=C
InChIInChI=1S/C12H12O2/c1-4-6-10-8-12(9(3)13)14-11(10)7-5-2/h4-8H,1-2H2,3H3/b10-6-,11-7+
InChIKeyIJOZNMBWUNFFNR-NAKBGQTNSA-N
MW188.23 g/mol
LogP1.42
Rot. Bonds3

About 1-[(4Z,5E)-4,5-bis(prop-2-enylidene)furan-2-yl]ethanone

1-[(4Z,5E)-4,5-bis(prop-2-enylidene)furan-2-yl]ethanone (PubChem CID 126594024) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1-[(4Z,5E)-4,5-bis(prop-2-enylidene)furan-2-yl]ethanone.

Molecular Properties

Compound Name1-[(4Z,5E)-4,5-bis(prop-2-enylidene)furan-2-yl]ethanone
PubChem CID126594024
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name1-[(4Z,5E)-4,5-bis(prop-2-enylidene)furan-2-yl]ethanone
SMILESC=C/C=c1/cc(C(C)=O)o/c1=C/C=C
InChIInChI=1S/C12H12O2/c1-4-6-10-8-12(9(3)13)14-11(10)7-5-2/h4-8H,1-2H2,3H3/b10-6-,11-7+
InChIKeyIJOZNMBWUNFFNR-NAKBGQTNSA-N
XLogP1.42
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4Z,5E)-4,5-bis(prop-2-enylidene)furan-2-yl]ethanone?
The IUPAC name of 1-[(4Z,5E)-4,5-bis(prop-2-enylidene)furan-2-yl]ethanone (CID 126594024) is 1-[(4Z,5E)-4,5-bis(prop-2-enylidene)furan-2-yl]ethanone.
What is the SMILES notation for 1-[(4Z,5E)-4,5-bis(prop-2-enylidene)furan-2-yl]ethanone?
The canonical SMILES for 1-[(4Z,5E)-4,5-bis(prop-2-enylidene)furan-2-yl]ethanone is C=C/C=c1/cc(C(C)=O)o/c1=C/C=C.
What is the InChIKey of 1-[(4Z,5E)-4,5-bis(prop-2-enylidene)furan-2-yl]ethanone?
The InChIKey is IJOZNMBWUNFFNR-NAKBGQTNSA-N. The full InChI is InChI=1S/C12H12O2/c1-4-6-10-8-12(9(3)13)14-11(10)7-5-2/h4-8H,1-2H2,3H3/b10-6-,11-7+.
What are the key properties of 1-[(4Z,5E)-4,5-bis(prop-2-enylidene)furan-2-yl]ethanone?
1-[(4Z,5E)-4,5-bis(prop-2-enylidene)furan-2-yl]ethanone has a molecular weight of 188.23 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4Z,5E)-4,5-bis(prop-2-enylidene)furan-2-yl]ethanone is sourced from PubChem (CID 126594024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).