1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide

C10H13BrN2O2 — CID 131019769

IUPAC1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1coc(Br)c1
InChIInChI=1S/C10H13BrN2O2/c11-9-4-7(6-15-9)5-13-3-1-2-8(13)10(12)14/h4,6,8H,1-3,5H2,(H2,12,14)
InChIKeyMLCIJEFIEOCLHR-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.49
Rot. Bonds3

About 1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide

1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide (PubChem CID 131019769) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is 1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide
PubChem CID131019769
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1coc(Br)c1
InChIInChI=1S/C10H13BrN2O2/c11-9-4-7(6-15-9)5-13-3-1-2-8(13)10(12)14/h4,6,8H,1-3,5H2,(H2,12,14)
InChIKeyMLCIJEFIEOCLHR-UHFFFAOYSA-N
XLogP1.49
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine
CID 131020830
1-[(4-aminophenyl)methyl]pyrrolidine-2-carboxamide
CID 43212133
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carbonitrile
CID 130654016
1-[(4-bromo-3-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 113335252
1-[(3-amino-4-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 43349867
1-[(4-bromophenyl)methyl]azetidine-2-carboxamide
CID 74961282
1-[(3-chlorophenyl)methyl]piperidine-2-carboxamide
CID 21105013
1-[[5-(hydrazinecarbonyl)-2-methylfuran-3-yl]methyl]pyrrolidine-2-carboxamide
CID 63569410
(2S)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 70742179
1-[[4-(aminomethyl)-3-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 106785169
1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide
CID 75514745

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide (CID 131019769) is 1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1coc(Br)c1.
What is the InChIKey of 1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is MLCIJEFIEOCLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c11-9-4-7(6-15-9)5-13-3-1-2-8(13)10(12)14/h4,6,8H,1-3,5H2,(H2,12,14).
What are the key properties of 1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide?
1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 273.13 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 131019769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).