prop-2-enyl (Z)-3-bromoprop-2-enoate

C6H7BrO2 — CID 14906233

IUPACprop-2-enyl (Z)-3-bromoprop-2-enoate
SMILESC=CCOC(=O)/C=C\Br
InChIInChI=1S/C6H7BrO2/c1-2-5-9-6(8)3-4-7/h2-4H,1,5H2/b4-3-
InChIKeyXHLSZYNPESJPRK-ARJAWSKDSA-N
MW191.02 g/mol
LogP1.62
Rot. Bonds3

About prop-2-enyl (Z)-3-bromoprop-2-enoate

prop-2-enyl (Z)-3-bromoprop-2-enoate (PubChem CID 14906233) has the molecular formula C6H7BrO2 and a molecular weight of 191.02 g/mol. Its IUPAC name is prop-2-enyl (Z)-3-bromoprop-2-enoate.

Molecular Properties

Compound Nameprop-2-enyl (Z)-3-bromoprop-2-enoate
PubChem CID14906233
Molecular FormulaC6H7BrO2
Molecular Weight191.02 g/mol
Exact Mass189.96
IUPAC Nameprop-2-enyl (Z)-3-bromoprop-2-enoate
SMILESC=CCOC(=O)/C=C\Br
InChIInChI=1S/C6H7BrO2/c1-2-5-9-6(8)3-4-7/h2-4H,1,5H2/b4-3-
InChIKeyXHLSZYNPESJPRK-ARJAWSKDSA-N
XLogP1.62
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.02
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(prop-2-enyl) (Z)-but-2-enedioate
CID 5354266
bis(prop-2-enyl) but-2-enedioate
CID 173228436
4-O-amino 1-O-prop-2-enyl (Z)-but-2-enedioate
CID 88748858
bis(prop-2-enyl) (E)-but-2-enedioate;diethyl (Z)-but-2-enedioate
CID 135146372
prop-2-enyl 3-cyanoprop-2-enoate
CID 54340551
methane;prop-2-enyl prop-2-enoate
CID 87568259
bis(prop-2-enyl) but-2-enedioate;bis(prop-2-enyl) hexanedioate
CID 173434680
buta-1,3-diene;prop-2-enyl prop-2-enoate
CID 87253709
prop-2-enyl 4-formyloxybut-2-enoate
CID 173056618
bis(prop-2-enyl) (Z)-but-2-enedioate;(Z)-2,3-bis(prop-2-enyl)but-2-enedioic acid
CID 119024225
prop-2-enyl (E)-5-methylhex-2-enoate
CID 87327194
prop-2-enyl (E)-3-cyclopentylprop-2-enoate
CID 11687001

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl (Z)-3-bromoprop-2-enoate?
The IUPAC name of prop-2-enyl (Z)-3-bromoprop-2-enoate (CID 14906233) is prop-2-enyl (Z)-3-bromoprop-2-enoate.
What is the SMILES notation for prop-2-enyl (Z)-3-bromoprop-2-enoate?
The canonical SMILES for prop-2-enyl (Z)-3-bromoprop-2-enoate is C=CCOC(=O)/C=C\Br.
What is the InChIKey of prop-2-enyl (Z)-3-bromoprop-2-enoate?
The InChIKey is XHLSZYNPESJPRK-ARJAWSKDSA-N. The full InChI is InChI=1S/C6H7BrO2/c1-2-5-9-6(8)3-4-7/h2-4H,1,5H2/b4-3-.
What are the key properties of prop-2-enyl (Z)-3-bromoprop-2-enoate?
prop-2-enyl (Z)-3-bromoprop-2-enoate has a molecular weight of 191.02 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl (Z)-3-bromoprop-2-enoate is sourced from PubChem (CID 14906233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).