[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride

C12H19BrClN3O — CID 119631149

IUPAC[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride
SMILESCCn1cc(Br)cc1C(=O)N1CCCC1CN.Cl
InChIInChI=1S/C12H18BrN3O.ClH/c1-2-15-8-9(13)6-11(15)12(17)16-5-3-4-10(16)7-14;/h6,8,10H,2-5,7,14H2,1H3;1H
InChIKeyCQHMKPJFXOVPQX-UHFFFAOYSA-N
MW336.66 g/mol
LogP2.26
Rot. Bonds3

About [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride

[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride (PubChem CID 119631149) has the molecular formula C12H19BrClN3O and a molecular weight of 336.66 g/mol. Its IUPAC name is [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride.

Molecular Properties

Compound Name[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride
PubChem CID119631149
Molecular FormulaC12H19BrClN3O
Molecular Weight336.66 g/mol
Exact Mass335.04
IUPAC Name[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride
SMILESCCn1cc(Br)cc1C(=O)N1CCCC1CN.Cl
InChIInChI=1S/C12H18BrN3O.ClH/c1-2-15-8-9(13)6-11(15)12(17)16-5-3-4-10(16)7-14;/h6,8,10H,2-5,7,14H2,1H3;1H
InChIKeyCQHMKPJFXOVPQX-UHFFFAOYSA-N
XLogP2.26
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.66
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-ethylpyrrole-2-carbonyl)pyrrolidine-2-carboxamide
CID 43641316
(4-aminopiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone
CID 43639622
(4-bromo-1-ethylpyrrol-2-yl)-(2-thiophen-2-ylpyrrolidin-1-yl)methanone
CID 60955318
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromothiophen-2-yl)methanone
CID 119631128
[2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride
CID 119632620
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromophenyl)methanone
CID 66861500
(4-bromo-1-propan-2-ylpyrrol-2-yl)-(2-ethylpiperidin-1-yl)methanone
CID 43641494
(4-bromo-1-ethylpyrrol-2-yl)-[(3R)-3-methylmorpholin-4-yl]methanone
CID 106832479
(4-amino-3,3-dimethylpiperidin-1-yl)-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride
CID 120817530
(4-bromo-1-ethylpyrrol-2-yl)-[4-(hydroxymethyl)piperidin-1-yl]methanone
CID 43641435
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1H-pyrrol-2-yl)methanone
CID 81483715
1-(4-bromo-1-ethylpyrrole-2-carbonyl)piperidine-4-carboxylic acid
CID 43639541

Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride?
The IUPAC name of [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride (CID 119631149) is [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride.
What is the SMILES notation for [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride?
The canonical SMILES for [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride is CCn1cc(Br)cc1C(=O)N1CCCC1CN.Cl.
What is the InChIKey of [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride?
The InChIKey is CQHMKPJFXOVPQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O.ClH/c1-2-15-8-9(13)6-11(15)12(17)16-5-3-4-10(16)7-14;/h6,8,10H,2-5,7,14H2,1H3;1H.
What are the key properties of [2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride?
[2-(aminomethyl)pyrrolidin-1-yl]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride has a molecular weight of 336.66 g/mol, XLogP of 2.26, 3 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]-(4-bromo-1-ethylpyrrol-2-yl)methanone;hydrochloride is sourced from PubChem (CID 119631149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).