[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol

C10H14BrNO2 — CID 94407935

IUPAC[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(Cc2ccc(Br)o2)C1
InChIInChI=1S/C10H14BrNO2/c11-10-2-1-9(14-10)6-12-4-3-8(5-12)7-13/h1-2,8,13H,3-7H2/t8-/m0/s1
InChIKeyLEQDXTXGDFPLMH-QMMMGPOBSA-N
MW260.13 g/mol
LogP1.86
Rot. Bonds3

About [(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol

[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol (PubChem CID 94407935) has the molecular formula C10H14BrNO2 and a molecular weight of 260.13 g/mol. Its IUPAC name is [(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol
PubChem CID94407935
Molecular FormulaC10H14BrNO2
Molecular Weight260.13 g/mol
Exact Mass259.02
IUPAC Name[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol
SMILESOC[C@H]1CCN(Cc2ccc(Br)o2)C1
InChIInChI=1S/C10H14BrNO2/c11-10-2-1-9(14-10)6-12-4-3-8(5-12)7-13/h1-2,8,13H,3-7H2/t8-/m0/s1
InChIKeyLEQDXTXGDFPLMH-QMMMGPOBSA-N
XLogP1.86
TPSA36.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.13
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263347
1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine
CID 130909482
[(3S)-1-[[5-(3,4-dichlorophenyl)furan-2-yl]methyl]pyrrolidin-3-yl]methanol
CID 97158378
[1-[[5-(4-bromophenyl)furan-2-yl]methyl]piperidin-3-yl]methanol
CID 60642590
1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 113283386
N-[(5-bromofuran-2-yl)methyl]-1-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 60856141
1-[(5-bromofuran-2-yl)methyl]piperazine
CID 43143137
[1-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-3-yl]methanol
CID 60670196
1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol
CID 127008917
(1-benzylpyrrolidin-3-yl)methanol;hydrochloride
CID 75485238
[1-[(2-aminophenyl)methyl]pyrrolidin-3-yl]methanol
CID 112624443
(3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine
CID 104976695

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol (CID 94407935) is [(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol is OC[C@H]1CCN(Cc2ccc(Br)o2)C1.
What is the InChIKey of [(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol?
The InChIKey is LEQDXTXGDFPLMH-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14BrNO2/c11-10-2-1-9(14-10)6-12-4-3-8(5-12)7-13/h1-2,8,13H,3-7H2/t8-/m0/s1.
What are the key properties of [(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol?
[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol has a molecular weight of 260.13 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 94407935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).