ethyl (2Z)-2-bromo-2-(3-bromopyrrolidin-2-ylidene)acetate

C8H11Br2NO2 — CID 101382181

IUPACethyl (2Z)-2-bromo-2-(3-bromopyrrolidin-2-ylidene)acetate
SMILESCCOC(=O)/C(Br)=C1/NCCC1Br
InChIInChI=1S/C8H11Br2NO2/c1-2-13-8(12)6(10)7-5(9)3-4-11-7/h5,11H,2-4H2,1H3/b7-6-
InChIKeyUEQDKYMUGRVOFU-SREVYHEPSA-N
MW312.99 g/mol
LogP1.91
Rot. Bonds2

About ethyl (2Z)-2-bromo-2-(3-bromopyrrolidin-2-ylidene)acetate

ethyl (2Z)-2-bromo-2-(3-bromopyrrolidin-2-ylidene)acetate (PubChem CID 101382181) has the molecular formula C8H11Br2NO2 and a molecular weight of 312.99 g/mol. Its IUPAC name is ethyl (2Z)-2-bromo-2-(3-bromopyrrolidin-2-ylidene)acetate.

Molecular Properties

Compound Nameethyl (2Z)-2-bromo-2-(3-bromopyrrolidin-2-ylidene)acetate
PubChem CID101382181
Molecular FormulaC8H11Br2NO2
Molecular Weight312.99 g/mol
Exact Mass310.92
IUPAC Nameethyl (2Z)-2-bromo-2-(3-bromopyrrolidin-2-ylidene)acetate
SMILESCCOC(=O)/C(Br)=C1/NCCC1Br
InChIInChI=1S/C8H11Br2NO2/c1-2-13-8(12)6(10)7-5(9)3-4-11-7/h5,11H,2-4H2,1H3/b7-6-
InChIKeyUEQDKYMUGRVOFU-SREVYHEPSA-N
XLogP1.91
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.99
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl (2Z)-2-bromo-2-(3-bromopyrrolidin-2-ylidene)acetate?
The IUPAC name of ethyl (2Z)-2-bromo-2-(3-bromopyrrolidin-2-ylidene)acetate (CID 101382181) is ethyl (2Z)-2-bromo-2-(3-bromopyrrolidin-2-ylidene)acetate.
What is the SMILES notation for ethyl (2Z)-2-bromo-2-(3-bromopyrrolidin-2-ylidene)acetate?
The canonical SMILES for ethyl (2Z)-2-bromo-2-(3-bromopyrrolidin-2-ylidene)acetate is CCOC(=O)/C(Br)=C1/NCCC1Br.
What is the InChIKey of ethyl (2Z)-2-bromo-2-(3-bromopyrrolidin-2-ylidene)acetate?
The InChIKey is UEQDKYMUGRVOFU-SREVYHEPSA-N. The full InChI is InChI=1S/C8H11Br2NO2/c1-2-13-8(12)6(10)7-5(9)3-4-11-7/h5,11H,2-4H2,1H3/b7-6-.
What are the key properties of ethyl (2Z)-2-bromo-2-(3-bromopyrrolidin-2-ylidene)acetate?
ethyl (2Z)-2-bromo-2-(3-bromopyrrolidin-2-ylidene)acetate has a molecular weight of 312.99 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2Z)-2-bromo-2-(3-bromopyrrolidin-2-ylidene)acetate is sourced from PubChem (CID 101382181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).