methyl (Z)-2-bromopent-2-enoate

C6H9BrO2 — CID 134901650

IUPACmethyl (Z)-2-bromopent-2-enoate
SMILESCC/C=C(\Br)C(=O)OC
InChIInChI=1S/C6H9BrO2/c1-3-4-5(7)6(8)9-2/h4H,3H2,1-2H3/b5-4-
InChIKeySABGZMGWTCRPMR-PLNGDYQASA-N
MW193.04 g/mol
LogP1.85
Rot. Bonds2

About methyl (Z)-2-bromopent-2-enoate

methyl (Z)-2-bromopent-2-enoate (PubChem CID 134901650) has the molecular formula C6H9BrO2 and a molecular weight of 193.04 g/mol. Its IUPAC name is methyl (Z)-2-bromopent-2-enoate.

Molecular Properties

Compound Namemethyl (Z)-2-bromopent-2-enoate
PubChem CID134901650
Molecular FormulaC6H9BrO2
Molecular Weight193.04 g/mol
Exact Mass191.98
IUPAC Namemethyl (Z)-2-bromopent-2-enoate
SMILESCC/C=C(\Br)C(=O)OC
InChIInChI=1S/C6H9BrO2/c1-3-4-5(7)6(8)9-2/h4H,3H2,1-2H3/b5-4-
InChIKeySABGZMGWTCRPMR-PLNGDYQASA-N
XLogP1.85
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.04
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl (Z)-2-bromopent-2-enoate?
The IUPAC name of methyl (Z)-2-bromopent-2-enoate (CID 134901650) is methyl (Z)-2-bromopent-2-enoate.
What is the SMILES notation for methyl (Z)-2-bromopent-2-enoate?
The canonical SMILES for methyl (Z)-2-bromopent-2-enoate is CC/C=C(\Br)C(=O)OC.
What is the InChIKey of methyl (Z)-2-bromopent-2-enoate?
The InChIKey is SABGZMGWTCRPMR-PLNGDYQASA-N. The full InChI is InChI=1S/C6H9BrO2/c1-3-4-5(7)6(8)9-2/h4H,3H2,1-2H3/b5-4-.
What are the key properties of methyl (Z)-2-bromopent-2-enoate?
methyl (Z)-2-bromopent-2-enoate has a molecular weight of 193.04 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (Z)-2-bromopent-2-enoate is sourced from PubChem (CID 134901650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).