1-(3-bromofuran-2-yl)-2-cyclopropyl-2-methoxyethanone

C10H11BrO3 — CID 116708973

IUPAC1-(3-bromofuran-2-yl)-2-cyclopropyl-2-methoxyethanone
SMILESCOC(C(=O)c1occc1Br)C1CC1
InChIInChI=1S/C10H11BrO3/c1-13-9(6-2-3-6)8(12)10-7(11)4-5-14-10/h4-6,9H,2-3H2,1H3
InChIKeyPCDKKWNIFOSKBK-UHFFFAOYSA-N
MW259.10 g/mol
LogP2.65
Rot. Bonds4

About 1-(3-bromofuran-2-yl)-2-cyclopropyl-2-methoxyethanone

1-(3-bromofuran-2-yl)-2-cyclopropyl-2-methoxyethanone (PubChem CID 116708973) has the molecular formula C10H11BrO3 and a molecular weight of 259.10 g/mol. Its IUPAC name is 1-(3-bromofuran-2-yl)-2-cyclopropyl-2-methoxyethanone.

Molecular Properties

Compound Name1-(3-bromofuran-2-yl)-2-cyclopropyl-2-methoxyethanone
PubChem CID116708973
Molecular FormulaC10H11BrO3
Molecular Weight259.10 g/mol
Exact Mass257.99
IUPAC Name1-(3-bromofuran-2-yl)-2-cyclopropyl-2-methoxyethanone
SMILESCOC(C(=O)c1occc1Br)C1CC1
InChIInChI=1S/C10H11BrO3/c1-13-9(6-2-3-6)8(12)10-7(11)4-5-14-10/h4-6,9H,2-3H2,1H3
InChIKeyPCDKKWNIFOSKBK-UHFFFAOYSA-N
XLogP2.65
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.10
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromofuran-2-yl)-2-cyclopropyl-2-methoxyethanone?
The IUPAC name of 1-(3-bromofuran-2-yl)-2-cyclopropyl-2-methoxyethanone (CID 116708973) is 1-(3-bromofuran-2-yl)-2-cyclopropyl-2-methoxyethanone.
What is the SMILES notation for 1-(3-bromofuran-2-yl)-2-cyclopropyl-2-methoxyethanone?
The canonical SMILES for 1-(3-bromofuran-2-yl)-2-cyclopropyl-2-methoxyethanone is COC(C(=O)c1occc1Br)C1CC1.
What is the InChIKey of 1-(3-bromofuran-2-yl)-2-cyclopropyl-2-methoxyethanone?
The InChIKey is PCDKKWNIFOSKBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO3/c1-13-9(6-2-3-6)8(12)10-7(11)4-5-14-10/h4-6,9H,2-3H2,1H3.
What are the key properties of 1-(3-bromofuran-2-yl)-2-cyclopropyl-2-methoxyethanone?
1-(3-bromofuran-2-yl)-2-cyclopropyl-2-methoxyethanone has a molecular weight of 259.10 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromofuran-2-yl)-2-cyclopropyl-2-methoxyethanone is sourced from PubChem (CID 116708973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).