[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone

C10H14BrN3O — CID 81483715

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone
SMILESNCC1CCCN1C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C10H14BrN3O/c11-7-4-9(13-6-7)10(15)14-3-1-2-8(14)5-12/h4,6,8,13H,1-3,5,12H2
InChIKeyUYXYVODZHQLSAL-UHFFFAOYSA-N
MW272.15 g/mol
LogP1.34
Rot. Bonds2

About [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone

[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone (PubChem CID 81483715) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone
PubChem CID81483715
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone
SMILESNCC1CCCN1C(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C10H14BrN3O/c11-7-4-9(13-6-7)10(15)14-3-1-2-8(14)5-12/h4,6,8,13H,1-3,5,12H2
InChIKeyUYXYVODZHQLSAL-UHFFFAOYSA-N
XLogP1.34
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4-bromo-1H-pyrrol-2-yl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
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2-[2-(aminomethyl)pyrrolidine-1-carbonyl]-6-bromo-1H-quinolin-4-one
CID 126789938
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[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500
(4-bromo-1H-pyrrol-2-yl)-[(2R)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]methanone
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[2-(aminomethyl)piperidin-1-yl]-(4-thiomorpholin-4-ylsulfonyl-1H-pyrrol-2-yl)methanone;hydrochloride
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[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride
CID 119631149
[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromo-1H-indazol-3-yl)methanone
CID 119633174
[2-(aminomethyl)pyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 119631123
[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone (CID 81483715) is [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone is NCC1CCCN1C(=O)c1cc(Br)c[nH]1.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone?
The InChIKey is UYXYVODZHQLSAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c11-7-4-9(13-6-7)10(15)14-3-1-2-8(14)5-12/h4,6,8,13H,1-3,5,12H2.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone?
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone has a molecular weight of 272.15 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone is sourced from PubChem (CID 81483715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).