(5Z)-4-bromo-5-(1-bromoethylidene)-3-propylfuran-2-one

C9H10Br2O2 — CID 56836362

IUPAC(5Z)-4-bromo-5-(1-bromoethylidene)-3-propylfuran-2-one
SMILESCCCC1=C(Br)/C(=C(\C)Br)OC1=O
InChIInChI=1S/C9H10Br2O2/c1-3-4-6-7(11)8(5(2)10)13-9(6)12/h3-4H2,1-2H3/b8-5-
InChIKeyIYOQQYSFFFLCKF-YVMONPNESA-N
MW309.99 g/mol
LogP3.62
Rot. Bonds2

About (5Z)-4-bromo-5-(1-bromoethylidene)-3-propylfuran-2-one

(5Z)-4-bromo-5-(1-bromoethylidene)-3-propylfuran-2-one (PubChem CID 56836362) has the molecular formula C9H10Br2O2 and a molecular weight of 309.99 g/mol. Its IUPAC name is (5Z)-4-bromo-5-(1-bromoethylidene)-3-propylfuran-2-one.

Molecular Properties

Compound Name(5Z)-4-bromo-5-(1-bromoethylidene)-3-propylfuran-2-one
PubChem CID56836362
Molecular FormulaC9H10Br2O2
Molecular Weight309.99 g/mol
Exact Mass307.90
IUPAC Name(5Z)-4-bromo-5-(1-bromoethylidene)-3-propylfuran-2-one
SMILESCCCC1=C(Br)/C(=C(\C)Br)OC1=O
InChIInChI=1S/C9H10Br2O2/c1-3-4-6-7(11)8(5(2)10)13-9(6)12/h3-4H2,1-2H3/b8-5-
InChIKeyIYOQQYSFFFLCKF-YVMONPNESA-N
XLogP3.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.99
LogP ≤ 53.62
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
Wnfdchgnkiyobf-uhfffaoysa-
CID 21636735
(5Z)-4-bromo-3-(1-bromobutyl)-5-(bromomethylidene)furan-2-one
CID 21024128
Fimbrolide
CID 9796693
CID 54374244
CID 54374244
4-Bromo-5-(dibromomethylidene)-3-propylfuran-2-one
CID 56836363
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
(5Z)-4-bromo-5-(1-bromoethylidene)-3-(1-fluorobutyl)furan-2-one
CID 59760035
4-Bromo-5-(bromomethylidene)-3-(1-fluorobutyl)furan-2-one
CID 85064075

Frequently Asked Questions

What is the IUPAC name of (5Z)-4-bromo-5-(1-bromoethylidene)-3-propylfuran-2-one?
The IUPAC name of (5Z)-4-bromo-5-(1-bromoethylidene)-3-propylfuran-2-one (CID 56836362) is (5Z)-4-bromo-5-(1-bromoethylidene)-3-propylfuran-2-one.
What is the SMILES notation for (5Z)-4-bromo-5-(1-bromoethylidene)-3-propylfuran-2-one?
The canonical SMILES for (5Z)-4-bromo-5-(1-bromoethylidene)-3-propylfuran-2-one is CCCC1=C(Br)/C(=C(\C)Br)OC1=O.
What is the InChIKey of (5Z)-4-bromo-5-(1-bromoethylidene)-3-propylfuran-2-one?
The InChIKey is IYOQQYSFFFLCKF-YVMONPNESA-N. The full InChI is InChI=1S/C9H10Br2O2/c1-3-4-6-7(11)8(5(2)10)13-9(6)12/h3-4H2,1-2H3/b8-5-.
What are the key properties of (5Z)-4-bromo-5-(1-bromoethylidene)-3-propylfuran-2-one?
(5Z)-4-bromo-5-(1-bromoethylidene)-3-propylfuran-2-one has a molecular weight of 309.99 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-4-bromo-5-(1-bromoethylidene)-3-propylfuran-2-one is sourced from PubChem (CID 56836362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).