[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone

C10H13BrN2O2 — CID 81483336

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone
SMILESNCC1CCCN1C(=O)c1ccc(Br)o1
InChIInChI=1S/C10H13BrN2O2/c11-9-4-3-8(15-9)10(14)13-5-1-2-7(13)6-12/h3-4,7H,1-2,5-6,12H2
InChIKeyCZFABUVMZWFOSC-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.61
Rot. Bonds2

About [2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone

[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone (PubChem CID 81483336) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone
PubChem CID81483336
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone
SMILESNCC1CCCN1C(=O)c1ccc(Br)o1
InChIInChI=1S/C10H13BrN2O2/c11-9-4-3-8(15-9)10(14)13-5-1-2-7(13)6-12/h3-4,7H,1-2,5-6,12H2
InChIKeyCZFABUVMZWFOSC-UHFFFAOYSA-N
XLogP1.61
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5-bromofuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261684
(5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone
CID 115642379
1-[1-(5-bromofuran-2-carbonyl)piperidin-2-yl]propan-2-one
CID 79549097
3-[(2S)-1-(5-bromofuran-2-carbonyl)piperidin-2-yl]propanoic acid
CID 94373903
[2-(aminomethyl)piperidin-1-yl]-(5-methylfuran-2-yl)methanone;hydrochloride
CID 119468513
[2-(aminomethyl)azepan-1-yl]-(5-methylfuran-2-yl)methanone
CID 116639926
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-bromofuran-2-yl)methanone
CID 102726484
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500
[2-(aminomethyl)pyrrolidin-1-yl]-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone;hydrochloride
CID 119634045
[2-(aminomethyl)pyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 122148050
[(2S)-2-(aminomethyl)pyrrolidin-1-yl]-[5-[(4-fluorophenoxy)methyl]furan-2-yl]methanone
CID 124700763
1-(5-bromofuran-2-carbonyl)azocane-2-carboxylic acid
CID 114239693

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone (CID 81483336) is [2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone is NCC1CCCN1C(=O)c1ccc(Br)o1.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone?
The InChIKey is CZFABUVMZWFOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c11-9-4-3-8(15-9)10(14)13-5-1-2-7(13)6-12/h3-4,7H,1-2,5-6,12H2.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone?
[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone has a molecular weight of 273.13 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone is sourced from PubChem (CID 81483336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).