(3-bromofuran-2-yl)-(2,2-dimethylcyclopropyl)methanone

C10H11BrO2 — CID 107003890

IUPAC(3-bromofuran-2-yl)-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)c1occc1Br
InChIInChI=1S/C10H11BrO2/c1-10(2)5-6(10)8(12)9-7(11)3-4-13-9/h3-4,6H,5H2,1-2H3
InChIKeyMGVGDONSQRDEKK-UHFFFAOYSA-N
MW243.10 g/mol
LogP3.27
Rot. Bonds2

About (3-bromofuran-2-yl)-(2,2-dimethylcyclopropyl)methanone

(3-bromofuran-2-yl)-(2,2-dimethylcyclopropyl)methanone (PubChem CID 107003890) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is (3-bromofuran-2-yl)-(2,2-dimethylcyclopropyl)methanone.

Molecular Properties

Compound Name(3-bromofuran-2-yl)-(2,2-dimethylcyclopropyl)methanone
PubChem CID107003890
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name(3-bromofuran-2-yl)-(2,2-dimethylcyclopropyl)methanone
SMILESCC1(C)CC1C(=O)c1occc1Br
InChIInChI=1S/C10H11BrO2/c1-10(2)5-6(10)8(12)9-7(11)3-4-13-9/h3-4,6H,5H2,1-2H3
InChIKeyMGVGDONSQRDEKK-UHFFFAOYSA-N
XLogP3.27
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromofuran-2-yl)-(3,3-difluorocyclobutyl)methanone
CID 130992583
7-bicyclo[4.1.0]heptanyl-(3-bromofuran-2-yl)methanone
CID 114973383
(3-bromofuran-2-yl)-(2,4,5-trimethyloxolan-3-yl)methanone
CID 114973366
3-bromofuran-2-carbonyl bromide
CID 88622824
(3-bromofuran-2-yl)-(2-methylpyrrolidin-2-yl)methanone
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(3-bromofuran-2-yl)-morpholin-2-ylmethanone
CID 116561685
2-azabicyclo[2.1.1]hexan-5-yl-(3-bromofuran-2-yl)methanone
CID 131003152
2-(3-bromofuran-2-yl)-2-oxoacetic acid
CID 130951949
3-bromo-N-(2-methylcyclopropyl)furan-2-carboxamide
CID 130693285
(3-bromofuran-2-yl)-(2,3-dihydro-1H-inden-1-yl)methanone
CID 65406476
(3-bromofuran-2-yl)-[1-(dimethylamino)-4-methylcyclohexyl]methanone
CID 79067062
(3-bromofuran-2-yl)-[1-(methylamino)cyclopentyl]methanone
CID 130573801

Frequently Asked Questions

What is the IUPAC name of (3-bromofuran-2-yl)-(2,2-dimethylcyclopropyl)methanone?
The IUPAC name of (3-bromofuran-2-yl)-(2,2-dimethylcyclopropyl)methanone (CID 107003890) is (3-bromofuran-2-yl)-(2,2-dimethylcyclopropyl)methanone.
What is the SMILES notation for (3-bromofuran-2-yl)-(2,2-dimethylcyclopropyl)methanone?
The canonical SMILES for (3-bromofuran-2-yl)-(2,2-dimethylcyclopropyl)methanone is CC1(C)CC1C(=O)c1occc1Br.
What is the InChIKey of (3-bromofuran-2-yl)-(2,2-dimethylcyclopropyl)methanone?
The InChIKey is MGVGDONSQRDEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c1-10(2)5-6(10)8(12)9-7(11)3-4-13-9/h3-4,6H,5H2,1-2H3.
What are the key properties of (3-bromofuran-2-yl)-(2,2-dimethylcyclopropyl)methanone?
(3-bromofuran-2-yl)-(2,2-dimethylcyclopropyl)methanone has a molecular weight of 243.10 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromofuran-2-yl)-(2,2-dimethylcyclopropyl)methanone is sourced from PubChem (CID 107003890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).