1-(2-bromoethenyl)cyclopropane-1-carboxylic acid

C6H7BrO2 — CID 88694681

IUPAC1-(2-bromoethenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C=CBr)CC1
InChIInChI=1S/C6H7BrO2/c7-4-3-6(1-2-6)5(8)9/h3-4H,1-2H2,(H,8,9)
InChIKeyYFSJWINOQXHJKR-UHFFFAOYSA-N
MW191.02 g/mol
LogP1.76
Rot. Bonds2

About 1-(2-bromoethenyl)cyclopropane-1-carboxylic acid

1-(2-bromoethenyl)cyclopropane-1-carboxylic acid (PubChem CID 88694681) has the molecular formula C6H7BrO2 and a molecular weight of 191.02 g/mol. Its IUPAC name is 1-(2-bromoethenyl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-bromoethenyl)cyclopropane-1-carboxylic acid
PubChem CID88694681
Molecular FormulaC6H7BrO2
Molecular Weight191.02 g/mol
Exact Mass189.96
IUPAC Name1-(2-bromoethenyl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(C=CBr)CC1
InChIInChI=1S/C6H7BrO2/c7-4-3-6(1-2-6)5(8)9/h3-4H,1-2H2,(H,8,9)
InChIKeyYFSJWINOQXHJKR-UHFFFAOYSA-N
XLogP1.76
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.02
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-bromo-2-carboxyethenyl)cyclopropane-1-carboxylic acid
CID 88684716
1-(2-carboxy-2-chloroethenyl)cyclopropane-1-carboxylic acid
CID 88684480
1-[(Z)-2-bromo-3-oxo-3-propoxyprop-1-enyl]cyclopropane-1-carboxylic acid
CID 151001639
1-(3-ethoxy-2-fluoro-3-oxoprop-1-enyl)cyclopropane-1-carboxylic acid
CID 70369383
CID 173229851
CID 173229851
1-(2-oxoethenyl)cyclohexane-1-carboxylic acid
CID 141336633
1-aminocyclopropane-1-carboxylic acid;hydrate
CID 45116610
1-aminocyclopentane-1-carboxylic acid
CID 2901
1-iodocyclobutane-1-carboxylic acid
CID 14143344
1-(3-tert-butylsulfanyl-2-fluoro-3-oxoprop-1-enyl)cyclopropane-1-carboxylic acid
CID 88683863
carbamic acid;spiro[2.2]pentane
CID 119097498
1-amino-4-(2-iodoethenyl)cyclohexane-1-carboxylic acid
CID 173309176

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethenyl)cyclopropane-1-carboxylic acid?
The IUPAC name of 1-(2-bromoethenyl)cyclopropane-1-carboxylic acid (CID 88694681) is 1-(2-bromoethenyl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-(2-bromoethenyl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-(2-bromoethenyl)cyclopropane-1-carboxylic acid is O=C(O)C1(C=CBr)CC1.
What is the InChIKey of 1-(2-bromoethenyl)cyclopropane-1-carboxylic acid?
The InChIKey is YFSJWINOQXHJKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrO2/c7-4-3-6(1-2-6)5(8)9/h3-4H,1-2H2,(H,8,9).
What are the key properties of 1-(2-bromoethenyl)cyclopropane-1-carboxylic acid?
1-(2-bromoethenyl)cyclopropane-1-carboxylic acid has a molecular weight of 191.02 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethenyl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 88694681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).