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

C12H16BrNO — CID 130909482

IUPAC1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine
SMILESBrc1ccc(CN2CCC(C3CC3)C2)o1
InChIInChI=1S/C12H16BrNO/c13-12-4-3-11(15-12)8-14-6-5-10(7-14)9-1-2-9/h3-4,9-10H,1-2,5-8H2
InChIKeyAXZCHMTVSWALSU-UHFFFAOYSA-N
MW270.17 g/mol
LogP3.27
Rot. Bonds3

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

1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine (PubChem CID 130909482) has the molecular formula C12H16BrNO and a molecular weight of 270.17 g/mol. Its IUPAC name is 1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine.

Molecular Properties

Compound Name1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine
PubChem CID130909482
Molecular FormulaC12H16BrNO
Molecular Weight270.17 g/mol
Exact Mass269.04
IUPAC Name1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine
SMILESBrc1ccc(CN2CCC(C3CC3)C2)o1
InChIInChI=1S/C12H16BrNO/c13-12-4-3-11(15-12)8-14-6-5-10(7-14)9-1-2-9/h3-4,9-10H,1-2,5-8H2
InChIKeyAXZCHMTVSWALSU-UHFFFAOYSA-N
XLogP3.27
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.17
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3S)-1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]methanol
CID 94407935
1-[1-[(5-bromofuran-2-yl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 63263347
(3S)-1-[(5-bromofuran-2-yl)methyl]-3-methylpiperazine
CID 104976695
N-[[5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)furan-2-yl]methyl]propan-2-amine
CID 62434242
(2S)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 99832541
(2R)-4-[(5-bromofuran-2-yl)methyl]-2-[(2S)-oxolan-2-yl]morpholine
CID 99832542
4-[(5-bromofuran-2-yl)methyl]-2-(bromomethyl)morpholine
CID 131047863
1-[(5-bromofuran-2-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 113283386
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
1-[(5-bromofuran-2-yl)methyl]-4-methylpyrrolidin-3-ol
CID 127008917

Frequently Asked Questions

What is the IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine?
The IUPAC name of 1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine (CID 130909482) is 1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine.
What is the SMILES notation for 1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine?
The canonical SMILES for 1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine is Brc1ccc(CN2CCC(C3CC3)C2)o1.
What is the InChIKey of 1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine?
The InChIKey is AXZCHMTVSWALSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO/c13-12-4-3-11(15-12)8-14-6-5-10(7-14)9-1-2-9/h3-4,9-10H,1-2,5-8H2.
What are the key properties of 1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine?
1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine has a molecular weight of 270.17 g/mol, XLogP of 3.27, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-bromofuran-2-yl)methyl]-3-cyclopropylpyrrolidine is sourced from PubChem (CID 130909482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).