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

C9H12BrNO — CID 131042743

IUPAC1-[(5-bromofuran-3-yl)methyl]-2-methylazetidine
SMILESCC1CCN1Cc1coc(Br)c1
InChIInChI=1S/C9H12BrNO/c1-7-2-3-11(7)5-8-4-9(10)12-6-8/h4,6-7H,2-3,5H2,1H3
InChIKeyACAGVSJVGOIHPU-UHFFFAOYSA-N
MW230.10 g/mol
LogP2.64
Rot. Bonds2

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

1-[(5-bromofuran-3-yl)methyl]-2-methylazetidine (PubChem CID 131042743) has the molecular formula C9H12BrNO and a molecular weight of 230.10 g/mol. Its IUPAC name is 1-[(5-bromofuran-3-yl)methyl]-2-methylazetidine.

Molecular Properties

Compound Name1-[(5-bromofuran-3-yl)methyl]-2-methylazetidine
PubChem CID131042743
Molecular FormulaC9H12BrNO
Molecular Weight230.10 g/mol
Exact Mass229.01
IUPAC Name1-[(5-bromofuran-3-yl)methyl]-2-methylazetidine
SMILESCC1CCN1Cc1coc(Br)c1
InChIInChI=1S/C9H12BrNO/c1-7-2-3-11(7)5-8-4-9(10)12-6-8/h4,6-7H,2-3,5H2,1H3
InChIKeyACAGVSJVGOIHPU-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

1-[(5-bromofuran-3-yl)methyl]-2-methylpiperidine
CID 130653751
1-[(5-bromofuran-3-yl)methyl]-2,3-dimethylpiperidine
CID 131020830
1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carbonitrile
CID 130654016
[4-[(5-bromofuran-3-yl)methyl]thiomorpholin-3-yl]methanol
CID 131186323
1-[(5-bromofuran-3-yl)methyl]pyrrolidine
CID 105487442
1-[(5-bromofuran-3-yl)methyl]pyrrolidine-2-carboxamide
CID 131019769
1-[(5-bromofuran-3-yl)methyl]-3-ethylpiperidine
CID 130679519
1-[(5-bromofuran-3-yl)methyl]-3-methoxypiperidine
CID 130727806
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]-3,4-dimethylpyrrolidin-2-one
CID 130854790
2,6-dibromo-4-[(2-methylpyrrolidin-1-yl)methyl]phenol
CID 107740241
1-(furan-3-ylmethyl)-2-methylpiperidine
CID 131067183

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-3-yl)methyl]-2-methylazetidine?
The IUPAC name of 1-[(5-bromofuran-3-yl)methyl]-2-methylazetidine (CID 131042743) is 1-[(5-bromofuran-3-yl)methyl]-2-methylazetidine.
What is the SMILES notation for 1-[(5-bromofuran-3-yl)methyl]-2-methylazetidine?
The canonical SMILES for 1-[(5-bromofuran-3-yl)methyl]-2-methylazetidine is CC1CCN1Cc1coc(Br)c1.
What is the InChIKey of 1-[(5-bromofuran-3-yl)methyl]-2-methylazetidine?
The InChIKey is ACAGVSJVGOIHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNO/c1-7-2-3-11(7)5-8-4-9(10)12-6-8/h4,6-7H,2-3,5H2,1H3.
What are the key properties of 1-[(5-bromofuran-3-yl)methyl]-2-methylazetidine?
1-[(5-bromofuran-3-yl)methyl]-2-methylazetidine 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]-2-methylazetidine is sourced from PubChem (CID 131042743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).