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

C10H11BrN2O — CID 130654016

IUPAC1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1Cc1coc(Br)c1
InChIInChI=1S/C10H11BrN2O/c11-10-4-8(7-14-10)6-13-3-1-2-9(13)5-12/h4,7,9H,1-3,6H2
InChIKeyAAOFZLMDQJVNFA-UHFFFAOYSA-N
MW255.11 g/mol
LogP2.53
Rot. Bonds2

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

1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carbonitrile (PubChem CID 130654016) has the molecular formula C10H11BrN2O and a molecular weight of 255.11 g/mol. Its IUPAC name is 1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carbonitrile
PubChem CID130654016
Molecular FormulaC10H11BrN2O
Molecular Weight255.11 g/mol
Exact Mass254.01
IUPAC Name1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carbonitrile
SMILESN#CC1CCCN1Cc1coc(Br)c1
InChIInChI=1S/C10H11BrN2O/c11-10-4-8(7-14-10)6-13-3-1-2-9(13)5-12/h4,7,9H,1-3,6H2
InChIKeyAAOFZLMDQJVNFA-UHFFFAOYSA-N
XLogP2.53
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.11
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine
CID 131020830
1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine
CID 130653751
1-[(5-bromo-3-pyridinyl)methyl]pyrrolidine-2-carbonitrile
CID 104797256
1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide
CID 131019769
1-[(5-bromofuran-3-yl)methyl]-2-methylazetidine
CID 131042743
1-[(5-bromofuran-3-yl)methyl]pyrrolidine
CID 105487442
2-[(5-bromofuran-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 130747026
[4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol
CID 131186323
1-[(3-bromo-2,6-difluorophenyl)methyl]piperidine-2-carbonitrile
CID 114165758
1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carbonitrile
CID 79267259
1-benzylpiperidine-2-carbonitrile;4-methylbenzene-1,3-dicarboxylic acid
CID 174558531
2-[(2S)-2-cyanopyrrolidin-1-yl]acetyl bromide
CID 141050137

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carbonitrile?
The IUPAC name of 1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carbonitrile (CID 130654016) is 1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for 1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for 1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carbonitrile is N#CC1CCCN1Cc1coc(Br)c1.
What is the InChIKey of 1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carbonitrile?
The InChIKey is AAOFZLMDQJVNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2O/c11-10-4-8(7-14-10)6-13-3-1-2-9(13)5-12/h4,7,9H,1-3,6H2.
What are the key properties of 1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carbonitrile?
1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carbonitrile has a molecular weight of 255.11 g/mol, XLogP of 2.53, 2 rotatable bonds, 0 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-carbonitrile is sourced from PubChem (CID 130654016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).