methyl 6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylate

C9H10BrNO2 — CID 12795079

IUPACmethyl 6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylate
SMILESCOC(=O)C1CCn2cc(Br)cc21
InChIInChI=1S/C9H10BrNO2/c1-13-9(12)7-2-3-11-5-6(10)4-8(7)11/h4-5,7H,2-3H2,1H3
InChIKeyCEBMKDARIQXMNV-UHFFFAOYSA-N
MW244.09 g/mol
LogP1.91
Rot. Bonds1

About methyl 6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylate

methyl 6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylate (PubChem CID 12795079) has the molecular formula C9H10BrNO2 and a molecular weight of 244.09 g/mol. Its IUPAC name is methyl 6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylate
PubChem CID12795079
Molecular FormulaC9H10BrNO2
Molecular Weight244.09 g/mol
Exact Mass242.99
IUPAC Namemethyl 6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylate
SMILESCOC(=O)C1CCn2cc(Br)cc21
InChIInChI=1S/C9H10BrNO2/c1-13-9(12)7-2-3-11-5-6(10)4-8(7)11/h4-5,7H,2-3H2,1H3
InChIKeyCEBMKDARIQXMNV-UHFFFAOYSA-N
XLogP1.91
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromobenzoyl) 6-methylsulfonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 150253505
methyl 7-(2-ethoxy-2-oxoacetyl)-6-methyl-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 172829635
methyl 1-methyl-2,3-dioxopiperidine-4-carboxylate
CID 117273473
methyl 1-(4-bromo-2,6-difluorophenyl)azetidine-2-carboxylate
CID 112581497
methyl 5-(4-hydroxybenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 118604668
methyl (4R)-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
CID 125044320
methyl 7-chloro-1-methyl-3,4-dihydro-2H-quinoline-4-carboxylate
CID 170903361
methyl 6-chloro-5-(3-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 20528140
methyl 6-bromo-2,3-dihydro-1-benzofuran-3-carboxylate
CID 146246442
ethyl 2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 13077382
(1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 10131273
methyl 6-bromo-3-oxo-1,2-dihydroindene-2-carboxylate
CID 23158180

Frequently Asked Questions

What is the IUPAC name of methyl 6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The IUPAC name of methyl 6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylate (CID 12795079) is methyl 6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylate.
What is the SMILES notation for methyl 6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The canonical SMILES for methyl 6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylate is COC(=O)C1CCn2cc(Br)cc21.
What is the InChIKey of methyl 6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
The InChIKey is CEBMKDARIQXMNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO2/c1-13-9(12)7-2-3-11-5-6(10)4-8(7)11/h4-5,7H,2-3H2,1H3.
What are the key properties of methyl 6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylate?
methyl 6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylate has a molecular weight of 244.09 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-bromo-2,3-dihydro-1H-pyrrolizine-1-carboxylate is sourced from PubChem (CID 12795079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).