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

C9H12BrNO — CID 105487442

IUPAC1-[(5-bromofuran-3-yl)methyl]pyrrolidine
SMILESBrc1cc(CN2CCCC2)co1
InChIInChI=1S/C9H12BrNO/c10-9-5-8(7-12-9)6-11-3-1-2-4-11/h5,7H,1-4,6H2
InChIKeyGNSJRDGUXPSEDO-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.64
Rot. Bonds2

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

1-[(5-bromofuran-3-yl)methyl]pyrrolidine (PubChem CID 105487442) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 1-[(5-bromofuran-3-yl)methyl]pyrrolidine.

Molecular Properties

Compound Name1-[(5-bromofuran-3-yl)methyl]pyrrolidine
PubChem CID105487442
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name1-[(5-bromofuran-3-yl)methyl]pyrrolidine
SMILESBrc1cc(CN2CCCC2)co1
InChIInChI=1S/C9H12BrNO/c10-9-5-8(7-12-9)6-11-3-1-2-4-11/h5,7H,1-4,6H2
InChIKeyGNSJRDGUXPSEDO-UHFFFAOYSA-N
XLogP2.64
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.10
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-bromofuran-3-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 130747026
1-[(5-bromofuran-3-yl)methyl]-3-ethylpiperidine
CID 130679519
1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine
CID 130727806
1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine
CID 130653751
1-[(5-bromofuran-3-yl)methyl]-3-(hydroxymethyl)pyrrolidin-3-ol
CID 130608348
1-[(5-bromofuran-3-yl)methyl]-4-ethylpyrrolidin-3-ol
CID 130825988
1-[(5-bromofuran-3-yl)methyl]-2-methylazetidine
CID 131042743
1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carbonitrile
CID 130654016
1-[(5-bromofuran-3-yl)methyl]piperidine-2,4-dione
CID 130747006
1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide
CID 131019769
5-(pyrrolidin-1-ylmethyl)furan-3-carboxylic acid
CID 62267284
1-[(5-bromothiophen-3-yl)methyl]azocane
CID 52623640

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-3-yl)methyl]pyrrolidine?
The IUPAC name of 1-[(5-bromofuran-3-yl)methyl]pyrrolidine (CID 105487442) is 1-[(5-bromofuran-3-yl)methyl]pyrrolidine.
What is the SMILES notation for 1-[(5-bromofuran-3-yl)methyl]pyrrolidine?
The canonical SMILES for 1-[(5-bromofuran-3-yl)methyl]pyrrolidine is Brc1cc(CN2CCCC2)co1.
What is the InChIKey of 1-[(5-bromofuran-3-yl)methyl]pyrrolidine?
The InChIKey is GNSJRDGUXPSEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c10-9-5-8(7-12-9)6-11-3-1-2-4-11/h5,7H,1-4,6H2.
What are the key properties of 1-[(5-bromofuran-3-yl)methyl]pyrrolidine?
1-[(5-bromofuran-3-yl)methyl]pyrrolidine has a molecular weight of 230.10 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-3-yl)methyl]pyrrolidine is sourced from PubChem (CID 105487442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).