8-[(5-bromofuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane

C12H16BrNO — CID 130847374

IUPAC8-[(5-bromofuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane
SMILESBrc1ccc(CN2C3CCCC2CC3)o1
InChIInChI=1S/C12H16BrNO/c13-12-7-6-11(15-12)8-14-9-2-1-3-10(14)5-4-9/h6-7,9-10H,1-5,8H2
InChIKeyUZGVLPQIGHGSBV-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.56
Rot. Bonds2

About 8-[(5-bromofuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane

8-[(5-bromofuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane (PubChem CID 130847374) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 8-[(5-bromofuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name8-[(5-bromofuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane
PubChem CID130847374
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name8-[(5-bromofuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane
SMILESBrc1ccc(CN2C3CCCC2CC3)o1
InChIInChI=1S/C12H16BrNO/c13-12-7-6-11(15-12)8-14-9-2-1-3-10(14)5-4-9/h6-7,9-10H,1-5,8H2
InChIKeyUZGVLPQIGHGSBV-UHFFFAOYSA-N
XLogP3.56
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,8aR)-2-[(5-bromofuran-2-yl)methyl]-3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 95792117
1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 113283386
1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine
CID 130909482
2-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-2-yl]acetic acid
CID 61372306
[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 94407935
(1R,5S)-8-benzyl-8-azabicyclo[3.2.1]octane
CID 67134573
3-[(5-bromofuran-2-yl)methyl]cyclohexan-1-ol
CID 130835243
N-[(5-bromofuran-2-yl)methyl]-1-cyclohexylmethanamine
CID 43215825
1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol
CID 127008917
1-[(5-bromofuran-2-yl)methyl]-4-methylpiperazine
CID 2838208
1-[(5-bromofuran-2-yl)methyl]piperazine
CID 43143137
(2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 99832541

Frequently Asked Questions

What is the IUPAC name of 8-[(5-bromofuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane?
The IUPAC name of 8-[(5-bromofuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane (CID 130847374) is 8-[(5-bromofuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 8-[(5-bromofuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 8-[(5-bromofuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane is Brc1ccc(CN2C3CCCC2CC3)o1.
What is the InChIKey of 8-[(5-bromofuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane?
The InChIKey is UZGVLPQIGHGSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-12-7-6-11(15-12)8-14-9-2-1-3-10(14)5-4-9/h6-7,9-10H,1-5,8H2.
What are the key properties of 8-[(5-bromofuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane?
8-[(5-bromofuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane has a molecular weight of 270.17 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-bromofuran-2-yl)methyl]-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 130847374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).