(2R)-2-(3-bromopropyl)-2H-furan-5-one

C7H9BrO2 — CID 134969509

IUPAC(2R)-2-(3-bromopropyl)-2H-furan-5-one
SMILESO=C1C=C[C@@H](CCCBr)O1
InChIInChI=1S/C7H9BrO2/c8-5-1-2-6-3-4-7(9)10-6/h3-4,6H,1-2,5H2/t6-/m1/s1
InChIKeyZMUYYQIFXVEEDV-ZCFIWIBFSA-N
MW205.05 g/mol
LogP1.64
Rot. Bonds3

About (2R)-2-(3-bromopropyl)-2H-furan-5-one

(2R)-2-(3-bromopropyl)-2H-furan-5-one (PubChem CID 134969509) has the molecular formula C7H9BrO2 and a molecular weight of 205.05 g/mol. Its IUPAC name is (2R)-2-(3-bromopropyl)-2H-furan-5-one.

Molecular Properties

Compound Name(2R)-2-(3-bromopropyl)-2H-furan-5-one
PubChem CID134969509
Molecular FormulaC7H9BrO2
Molecular Weight205.05 g/mol
Exact Mass203.98
IUPAC Name(2R)-2-(3-bromopropyl)-2H-furan-5-one
SMILESO=C1C=C[C@@H](CCCBr)O1
InChIInChI=1S/C7H9BrO2/c8-5-1-2-6-3-4-7(9)10-6/h3-4,6H,1-2,5H2/t6-/m1/s1
InChIKeyZMUYYQIFXVEEDV-ZCFIWIBFSA-N
XLogP1.64
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Propylfuran-2(5H)-one
CID 93769
Ethyl (2E)-6-bromohex-2-enoate
CID 9991050
Ethyl (E)-7-bromohept-2-enoate
CID 10243149
2-but-3-enyl-2H-furan-5-one
CID 12066113
Cyclopent-2-en-1-yl prop-2-enoate
CID 15524520
ethyl (E)-8-bromooct-2-enoate
CID 10377360
5-(bromomethyl)furan-2(5H)-one
CID 12706681
4-bromo-3,4-dihydro-2H-oxepin-7-one
CID 86179692
4-(bromomethyl)-2-ethenyl-2H-furan-5-one
CID 162399330
ethyl (2E,7E)-10-bromodeca-2,7-dienoate
CID 10778762
3-bromo-2-butyl-2H-furan-5-one
CID 15864905
(2S)-2-[(1R)-1-bromoethyl]-4-methyl-2H-furan-5-one
CID 130763673

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-bromopropyl)-2H-furan-5-one?
The IUPAC name of (2R)-2-(3-bromopropyl)-2H-furan-5-one (CID 134969509) is (2R)-2-(3-bromopropyl)-2H-furan-5-one.
What is the SMILES notation for (2R)-2-(3-bromopropyl)-2H-furan-5-one?
The canonical SMILES for (2R)-2-(3-bromopropyl)-2H-furan-5-one is O=C1C=C[C@@H](CCCBr)O1.
What is the InChIKey of (2R)-2-(3-bromopropyl)-2H-furan-5-one?
The InChIKey is ZMUYYQIFXVEEDV-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H9BrO2/c8-5-1-2-6-3-4-7(9)10-6/h3-4,6H,1-2,5H2/t6-/m1/s1.
What are the key properties of (2R)-2-(3-bromopropyl)-2H-furan-5-one?
(2R)-2-(3-bromopropyl)-2H-furan-5-one has a molecular weight of 205.05 g/mol, XLogP of 1.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-bromopropyl)-2H-furan-5-one is sourced from PubChem (CID 134969509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).