4-bromo-5-(dibromomethylidene)-3-propylfuran-2-one

C8H7Br3O2 — CID 56836363

IUPAC4-bromo-5-(dibromomethylidene)-3-propylfuran-2-one
SMILESCCCC1=C(Br)C(=C(Br)Br)OC1=O
InChIInChI=1S/C8H7Br3O2/c1-2-3-4-5(9)6(7(10)11)13-8(4)12/h2-3H2,1H3
InChIKeyNTLBKWNWXVTMNO-UHFFFAOYSA-N
MW374.85 g/mol
LogP3.95
Rot. Bonds2

About 4-bromo-5-(dibromomethylidene)-3-propylfuran-2-one

4-bromo-5-(dibromomethylidene)-3-propylfuran-2-one (PubChem CID 56836363) has the molecular formula C8H7Br3O2 and a molecular weight of 374.85 g/mol. Its IUPAC name is 4-bromo-5-(dibromomethylidene)-3-propylfuran-2-one.

Molecular Properties

Compound Name4-bromo-5-(dibromomethylidene)-3-propylfuran-2-one
PubChem CID56836363
Molecular FormulaC8H7Br3O2
Molecular Weight374.85 g/mol
Exact Mass371.80
IUPAC Name4-bromo-5-(dibromomethylidene)-3-propylfuran-2-one
SMILESCCCC1=C(Br)C(=C(Br)Br)OC1=O
InChIInChI=1S/C8H7Br3O2/c1-2-3-4-5(9)6(7(10)11)13-8(4)12/h2-3H2,1H3
InChIKeyNTLBKWNWXVTMNO-UHFFFAOYSA-N
XLogP3.95
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.85
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2(5H)-Furanone, 4-bromo-3-butyl-5-(dibromomethylene)-
CID 362385
4-Bromo-5-(Bromomethylene)-3-Butyl-2(5H)-Furanone
CID 9839657
Vatikjqhkghwik-uhfffaoysa-
CID 9815158
Pxuwfyuvvgviku-hyxafxhysa-
CID 12051732
Wnfdchgnkiyobf-uhfffaoysa-
CID 21636735
(5Z)-4-bromo-3-(1-bromoethyl)-5-(bromomethylidene)furan-2-one
CID 12051733
(5Z)-4-bromo-3-(1-bromobutyl)-5-(bromomethylidene)furan-2-one
CID 21024128
Fimbrolide
CID 9796693
4-Bromo-3-(1-bromoethyl)-5-(dibromomethylidene)furan-2-one
CID 10114126
CID 54374244
CID 54374244
4-Bromo-3-(1'-bromobutyl)-5-bromomethylene-2(5h)-furanone
CID 73734201
(5Z)-4-bromo-5-(bromomethylidene)-3-(1-fluorobutyl)furan-2-one
CID 9901947

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(dibromomethylidene)-3-propylfuran-2-one?
The IUPAC name of 4-bromo-5-(dibromomethylidene)-3-propylfuran-2-one (CID 56836363) is 4-bromo-5-(dibromomethylidene)-3-propylfuran-2-one.
What is the SMILES notation for 4-bromo-5-(dibromomethylidene)-3-propylfuran-2-one?
The canonical SMILES for 4-bromo-5-(dibromomethylidene)-3-propylfuran-2-one is CCCC1=C(Br)C(=C(Br)Br)OC1=O.
What is the InChIKey of 4-bromo-5-(dibromomethylidene)-3-propylfuran-2-one?
The InChIKey is NTLBKWNWXVTMNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Br3O2/c1-2-3-4-5(9)6(7(10)11)13-8(4)12/h2-3H2,1H3.
What are the key properties of 4-bromo-5-(dibromomethylidene)-3-propylfuran-2-one?
4-bromo-5-(dibromomethylidene)-3-propylfuran-2-one has a molecular weight of 374.85 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(dibromomethylidene)-3-propylfuran-2-one is sourced from PubChem (CID 56836363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).