3-bicyclo[3.1.0]hexanyl-(4,5-dibromothiophen-2-yl)methanone

C11H10Br2OS — CID 80532576

IUPAC3-bicyclo[3.1.0]hexanyl-(4,5-dibromothiophen-2-yl)methanone
SMILESO=C(c1cc(Br)c(Br)s1)C1CC2CC2C1
InChIInChI=1S/C11H10Br2OS/c12-8-4-9(15-11(8)13)10(14)7-2-5-1-6(5)3-7/h4-7H,1-3H2
InChIKeyWHKHAXNWKBACFT-UHFFFAOYSA-N
MW350.08 g/mol
LogP4.50
Rot. Bonds2

About 3-bicyclo[3.1.0]hexanyl-(4,5-dibromothiophen-2-yl)methanone

3-bicyclo[3.1.0]hexanyl-(4,5-dibromothiophen-2-yl)methanone (PubChem CID 80532576) has the molecular formula C11H10Br2OS and a molecular weight of 350.08 g/mol. Its IUPAC name is 3-bicyclo[3.1.0]hexanyl-(4,5-dibromothiophen-2-yl)methanone.

Molecular Properties

Compound Name3-bicyclo[3.1.0]hexanyl-(4,5-dibromothiophen-2-yl)methanone
PubChem CID80532576
Molecular FormulaC11H10Br2OS
Molecular Weight350.08 g/mol
Exact Mass347.88
IUPAC Name3-bicyclo[3.1.0]hexanyl-(4,5-dibromothiophen-2-yl)methanone
SMILESO=C(c1cc(Br)c(Br)s1)C1CC2CC2C1
InChIInChI=1S/C11H10Br2OS/c12-8-4-9(15-11(8)13)10(14)7-2-5-1-6(5)3-7/h4-7H,1-3H2
InChIKeyWHKHAXNWKBACFT-UHFFFAOYSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.08
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

cyclobutyl-(4,5-dibromothiophen-2-yl)methanone
CID 80532639
(4,5-dibromothiophen-2-yl)-(1,2,3,4-tetrahydronaphthalen-2-yl)methanone
CID 107126449
3-bicyclo[3.1.0]hexanyl-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102762899
4,5-dibromothiophene-2-carbonyl bromide
CID 15753564
(4,5-dibromothiophen-2-yl)-(1-oxaspiro[5.5]undecan-4-yl)methanone
CID 115787316
lithium 4,5-dibromothiophene-2-carboxylate
CID 19205739
(4,5-dibromothiophen-2-yl)-(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)methanone
CID 114247458
(4-bromo-5-methylthiophen-2-yl)-cycloheptylmethanone
CID 102826592
(4,5-dibromothiophen-2-yl)-(2,3-dihydro-1-benzofuran-2-yl)methanone
CID 80532830
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(4,5-dibromothiophen-2-yl)methanone
CID 51534111
4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766
4,5-dibromo-N-(dicyclopropylmethyl)thiophene-2-carboxamide
CID 31030719

Frequently Asked Questions

What is the IUPAC name of 3-bicyclo[3.1.0]hexanyl-(4,5-dibromothiophen-2-yl)methanone?
The IUPAC name of 3-bicyclo[3.1.0]hexanyl-(4,5-dibromothiophen-2-yl)methanone (CID 80532576) is 3-bicyclo[3.1.0]hexanyl-(4,5-dibromothiophen-2-yl)methanone.
What is the SMILES notation for 3-bicyclo[3.1.0]hexanyl-(4,5-dibromothiophen-2-yl)methanone?
The canonical SMILES for 3-bicyclo[3.1.0]hexanyl-(4,5-dibromothiophen-2-yl)methanone is O=C(c1cc(Br)c(Br)s1)C1CC2CC2C1.
What is the InChIKey of 3-bicyclo[3.1.0]hexanyl-(4,5-dibromothiophen-2-yl)methanone?
The InChIKey is WHKHAXNWKBACFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2OS/c12-8-4-9(15-11(8)13)10(14)7-2-5-1-6(5)3-7/h4-7H,1-3H2.
What are the key properties of 3-bicyclo[3.1.0]hexanyl-(4,5-dibromothiophen-2-yl)methanone?
3-bicyclo[3.1.0]hexanyl-(4,5-dibromothiophen-2-yl)methanone has a molecular weight of 350.08 g/mol, XLogP of 4.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bicyclo[3.1.0]hexanyl-(4,5-dibromothiophen-2-yl)methanone is sourced from PubChem (CID 80532576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).