methyl 6-amino-2-bromo-4,5-dihydrocyclopenta[b]furan-6-carboxylate

C9H10BrNO3 — CID 83913309

IUPACmethyl 6-amino-2-bromo-4,5-dihydrocyclopenta[b]furan-6-carboxylate
SMILESCOC(=O)C1(N)CCc2cc(Br)oc21
InChIInChI=1S/C9H10BrNO3/c1-13-8(12)9(11)3-2-5-4-6(10)14-7(5)9/h4H,2-3,11H2,1H3
InChIKeyCCRUXKRYYJMCIH-UHFFFAOYSA-N
MW260.09 g/mol
LogP1.32
Rot. Bonds1

About methyl 6-amino-2-bromo-4,5-dihydrocyclopenta[b]furan-6-carboxylate

methyl 6-amino-2-bromo-4,5-dihydrocyclopenta[b]furan-6-carboxylate (PubChem CID 83913309) has the molecular formula C9H10BrNO3 and a molecular weight of 260.09 g/mol. Its IUPAC name is methyl 6-amino-2-bromo-4,5-dihydrocyclopenta[b]furan-6-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-2-bromo-4,5-dihydrocyclopenta[b]furan-6-carboxylate
PubChem CID83913309
Molecular FormulaC9H10BrNO3
Molecular Weight260.09 g/mol
Exact Mass258.98
IUPAC Namemethyl 6-amino-2-bromo-4,5-dihydrocyclopenta[b]furan-6-carboxylate
SMILESCOC(=O)C1(N)CCc2cc(Br)oc21
InChIInChI=1S/C9H10BrNO3/c1-13-8(12)9(11)3-2-5-4-6(10)14-7(5)9/h4H,2-3,11H2,1H3
InChIKeyCCRUXKRYYJMCIH-UHFFFAOYSA-N
XLogP1.32
TPSA65.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.09
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (1R)-1-amino-2,3-dihydroindene-1-carboxylate
CID 67850264
methyl 1-amino-5-methoxy-2,3-dihydroindene-1-carboxylate
CID 83910529
methyl 1-amino-4-bromo-2,3-dihydroindene-1-carboxylate
CID 83913602
methyl 7-amino-5,6-dihydrocyclopenta[b]pyridine-7-carboxylate
CID 83907472
6-amino-2-chloro-4,5-dihydrocyclopenta[b]furan-6-carboxylic acid
CID 83908433
methyl (2R)-2-amino-7-bromo-3,4-dihydro-1H-naphthalene-2-carboxylate
CID 58466875
methyl 4-amino-2-chloro-5,6-dihydrocyclopenta[b]thiophene-4-carboxylate
CID 83911673
methyl 4-amino-8-bromo-6-fluoro-2,3-dihydrochromene-4-carboxylate
CID 82046162
methyl 4-amino-6-bromo-8-fluoro-2,3-dihydrochromene-4-carboxylate
CID 82046170
methyl 7-amino-3-bromo-1,4,5,6-tetrahydroindazole-7-carboxylate
CID 83913792
methyl 2-amino-6-chloro-3-oxo-1H-indene-2-carboxylate;hydrochloride
CID 19710615
methyl 4-amino-5,6-dihydro-1H-cyclopenta[d]pyrazole-4-carboxylate
CID 83906472

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-2-bromo-4,5-dihydrocyclopenta[b]furan-6-carboxylate?
The IUPAC name of methyl 6-amino-2-bromo-4,5-dihydrocyclopenta[b]furan-6-carboxylate (CID 83913309) is methyl 6-amino-2-bromo-4,5-dihydrocyclopenta[b]furan-6-carboxylate.
What is the SMILES notation for methyl 6-amino-2-bromo-4,5-dihydrocyclopenta[b]furan-6-carboxylate?
The canonical SMILES for methyl 6-amino-2-bromo-4,5-dihydrocyclopenta[b]furan-6-carboxylate is COC(=O)C1(N)CCc2cc(Br)oc21.
What is the InChIKey of methyl 6-amino-2-bromo-4,5-dihydrocyclopenta[b]furan-6-carboxylate?
The InChIKey is CCRUXKRYYJMCIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO3/c1-13-8(12)9(11)3-2-5-4-6(10)14-7(5)9/h4H,2-3,11H2,1H3.
What are the key properties of methyl 6-amino-2-bromo-4,5-dihydrocyclopenta[b]furan-6-carboxylate?
methyl 6-amino-2-bromo-4,5-dihydrocyclopenta[b]furan-6-carboxylate has a molecular weight of 260.09 g/mol, XLogP of 1.32, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-2-bromo-4,5-dihydrocyclopenta[b]furan-6-carboxylate is sourced from PubChem (CID 83913309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).