[3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone

C12H19N3O — CID 62063026

IUPAC[3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(CN)C2)n1C
InChIInChI=1S/C12H19N3O/c1-9-3-4-11(14(9)2)12(16)15-6-5-10(7-13)8-15/h3-4,10H,5-8,13H2,1-2H3
InChIKeyZOLHOECASISIHD-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.75
Rot. Bonds2

About [3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone

[3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone (PubChem CID 62063026) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is [3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone
PubChem CID62063026
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name[3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone
SMILESCc1ccc(C(=O)N2CCC(CN)C2)n1C
InChIInChI=1S/C12H19N3O/c1-9-3-4-11(14(9)2)12(16)15-6-5-10(7-13)8-15/h3-4,10H,5-8,13H2,1-2H3
InChIKeyZOLHOECASISIHD-UHFFFAOYSA-N
XLogP0.75
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[5-(3-bromophenyl)-1-methylpyrrol-2-yl]methanone
CID 125146843
(1,5-dimethylpyrrol-2-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 43416076
3,9-diazabicyclo[4.2.1]nonan-3-yl-(1,5-dimethylpyrrol-2-yl)methanone;hydrochloride
CID 119638645
[3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-1-methylpyrrol-2-yl)methanone;hydrochloride
CID 119487002
2-[[1-(1,5-dimethylpyrrole-2-carbonyl)piperidin-3-yl]methylamino]acetic acid
CID 106813559
[3-(aminomethyl)pyrrolidin-1-yl]-(4-methylsulfanylphenyl)methanone;hydrochloride
CID 119483346
[3-(aminomethyl)pyrrolidin-1-yl]-(2,4-dimethylphenyl)methanone
CID 55030892
1-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]phenyl]ethanone
CID 119483313
[3-(aminomethyl)pyrrolidin-1-yl]-(4-iodophenyl)methanone
CID 62062850
[3-(aminomethyl)pyrrolidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 112701263
[(3S)-3-(aminomethyl)pyrrolidin-1-yl]-[3-bromo-1-(4-methylphenyl)pyrazol-5-yl]methanone
CID 124611500
[3-(aminomethyl)pyrrolidin-1-yl]-(2-methoxy-5-methylphenyl)methanone
CID 62504749

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone?
The IUPAC name of [3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone (CID 62063026) is [3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone.
What is the SMILES notation for [3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone?
The canonical SMILES for [3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone is Cc1ccc(C(=O)N2CCC(CN)C2)n1C.
What is the InChIKey of [3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone?
The InChIKey is ZOLHOECASISIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-3-4-11(14(9)2)12(16)15-6-5-10(7-13)8-15/h3-4,10H,5-8,13H2,1-2H3.
What are the key properties of [3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone?
[3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone has a molecular weight of 221.30 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)pyrrolidin-1-yl]-(1,5-dimethylpyrrol-2-yl)methanone is sourced from PubChem (CID 62063026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).