1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol

C10H14BrNO2 — CID 127008917

IUPAC1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol
SMILESCC1CN(Cc2ccc(Br)o2)CC1O
InChIInChI=1S/C10H14BrNO2/c1-7-4-12(6-9(7)13)5-8-2-3-10(11)14-8/h2-3,7,9,13H,4-6H2,1H3
InChIKeyFORHMCZQGFMSOG-UHFFFAOYSA-N
MW260.13 g/mol
LogP1.85
Rot. Bonds2

About 1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol

1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol (PubChem CID 127008917) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol
PubChem CID127008917
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol
SMILESCC1CN(Cc2ccc(Br)o2)CC1O
InChIInChI=1S/C10H14BrNO2/c1-7-4-12(6-9(7)13)5-8-2-3-10(11)14-8/h2-3,7,9,13H,4-6H2,1H3
InChIKeyFORHMCZQGFMSOG-UHFFFAOYSA-N
XLogP1.85
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine
CID 104976695
N-[[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 79184609
1-[(4-bromothiophen-2-yl)methyl]-4-methylpyrrolidin-3-ol
CID 130770047
4-[(5-bromofuran-2-yl)methyl]-6-methyl-1,4-oxazepane
CID 131213802
1-[(5-bromofuran-2-yl)methyl]-4-methylpiperazine
CID 2838208
1-[(5-bromofuran-2-yl)methyl]piperazine
CID 43143137
[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 94407935
1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine
CID 130909482
5-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]furan-2-carbaldehyde
CID 102960340
1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263347
1-[(3-bromo-2-pyridinyl)methyl]-4-methylpyrrolidin-3-ol
CID 130979733
4-methyl-1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-ol
CID 131186330

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol?
The IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol (CID 127008917) is 1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol is CC1CN(Cc2ccc(Br)o2)CC1O.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol?
The InChIKey is FORHMCZQGFMSOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrNO2/c1-7-4-12(6-9(7)13)5-8-2-3-10(11)14-8/h2-3,7,9,13H,4-6H2,1H3.
What are the key properties of 1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol?
1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol has a molecular weight of 260.13 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 127008917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).