6-bromo-5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

C13H10BrNO4 — CID 20528164

IUPAC6-bromo-5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
SMILESO=C(c1ccoc1)c1c(Br)cc2n1CCC2C(=O)O
InChIInChI=1S/C13H10BrNO4/c14-9-5-10-8(13(17)18)1-3-15(10)11(9)12(16)7-2-4-19-6-7/h2,4-6,8H,1,3H2,(H,17,18)
InChIKeyQAABBZHFEJEWOO-UHFFFAOYSA-N
MW324.13 g/mol
LogP2.65
Rot. Bonds3

About 6-bromo-5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid

6-bromo-5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (PubChem CID 20528164) has the molecular formula C13H10BrNO4 and a molecular weight of 324.13 g/mol. Its IUPAC name is 6-bromo-5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid.

Molecular Properties

Compound Name6-bromo-5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
PubChem CID20528164
Molecular FormulaC13H10BrNO4
Molecular Weight324.13 g/mol
Exact Mass322.98
IUPAC Name6-bromo-5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
SMILESO=C(c1ccoc1)c1c(Br)cc2n1CCC2C(=O)O
InChIInChI=1S/C13H10BrNO4/c14-9-5-10-8(13(17)18)1-3-15(10)11(9)12(16)7-2-4-19-6-7/h2,4-6,8H,1,3H2,(H,17,18)
InChIKeyQAABBZHFEJEWOO-UHFFFAOYSA-N
XLogP2.65
TPSA72.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-5-(4-chlorobenzoyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid;copper
CID 70488217
sodium 5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylate
CID 23713914
5-[4-(4-bromophenyl)benzoyl]-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 139746967
5-(furan-2-carbonyl)-6-prop-2-enylsulfonyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 70451033
furan-3-carboxylic acid;dihydrochloride
CID 141114987
5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylic acid
CID 105470701
(4-bromo-3-chlorophenyl)-(furan-3-yl)methanone
CID 114971763
N-cyclopropylfuran-3-carboxamide
CID 60698418
(4-bromo-5-methylthiophen-2-yl)-(furan-3-yl)methanone
CID 102826466
6-methyl-5-(1-methyl-5-propoxypyrrole-2-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 70410413
5,6-bis(4-chlorophenyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 15180748
(1S)-6-benzoyl-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid
CID 10131273

Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The IUPAC name of 6-bromo-5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid (CID 20528164) is 6-bromo-5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid.
What is the SMILES notation for 6-bromo-5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The canonical SMILES for 6-bromo-5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid is O=C(c1ccoc1)c1c(Br)cc2n1CCC2C(=O)O.
What is the InChIKey of 6-bromo-5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
The InChIKey is QAABBZHFEJEWOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO4/c14-9-5-10-8(13(17)18)1-3-15(10)11(9)12(16)7-2-4-19-6-7/h2,4-6,8H,1,3H2,(H,17,18).
What are the key properties of 6-bromo-5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid?
6-bromo-5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid has a molecular weight of 324.13 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-(furan-3-carbonyl)-2,3-dihydro-1H-pyrrolizine-1-carboxylic acid is sourced from PubChem (CID 20528164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).