methyl 1-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate

C9H9BrO2S — CID 116964001

IUPACmethyl 1-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cc(Br)cs2)CC1
InChIInChI=1S/C9H9BrO2S/c1-12-8(11)9(2-3-9)7-4-6(10)5-13-7/h4-5H,2-3H2,1H3
InChIKeyIAYAPRDAMRAZCF-UHFFFAOYSA-N
MW261.14 g/mol
LogP2.72
Rot. Bonds2

About methyl 1-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate

methyl 1-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate (PubChem CID 116964001) has the molecular formula C9H9BrO2S and a molecular weight of 261.14 g/mol. Its IUPAC name is methyl 1-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate
PubChem CID116964001
Molecular FormulaC9H9BrO2S
Molecular Weight261.14 g/mol
Exact Mass259.95
IUPAC Namemethyl 1-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2cc(Br)cs2)CC1
InChIInChI=1S/C9H9BrO2S/c1-12-8(11)9(2-3-9)7-4-6(10)5-13-7/h4-5H,2-3H2,1H3
InChIKeyIAYAPRDAMRAZCF-UHFFFAOYSA-N
XLogP2.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.14
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl 1-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(1-methoxycarbonylcyclopropyl)thiophene-3-carboxylic acid
CID 90285447
1-[3-(4-bromothiophen-2-yl)oxetan-3-yl]ethanone
CID 116873739
methyl 3-(4-bromothiophene-2-carbonyl)oxetane-3-carboxylate
CID 116922499
methyl 1-(5-bromo-2-methylphenyl)cyclopropane-1-carboxylate
CID 116964024
methyl 1-(5-iodothieno[3,2-b]thiophen-2-yl)cyclopropane-1-carboxylate
CID 89449285
methyl 1-(5-bromo-3-methoxy-2-pyridinyl)cyclopropane-1-carboxylate
CID 90298931
methyl 1-(2-bromo-1,3-thiazol-4-yl)cyclopentane-1-carboxylate
CID 138673535
methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate
CID 89448912
methyl 1-(2-amino-5-bromophenyl)cyclopropane-1-carboxylate
CID 170008442
methyl 1-[[(4-bromothiophen-2-yl)methyl-methylamino]methyl]cyclopropane-1-carboxylate
CID 115247618
methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate
CID 90298966
methyl 1-(5-bromo-2-cyanophenyl)cyclopropane-1-carboxylate
CID 155973059

Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate (CID 116964001) is methyl 1-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate is COC(=O)C1(c2cc(Br)cs2)CC1.
What is the InChIKey of methyl 1-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate?
The InChIKey is IAYAPRDAMRAZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrO2S/c1-12-8(11)9(2-3-9)7-4-6(10)5-13-7/h4-5H,2-3H2,1H3.
What are the key properties of methyl 1-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate?
methyl 1-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate has a molecular weight of 261.14 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-bromothiophen-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 116964001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).