1-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

C15H23N3O2 — CID 120804323

IUPAC1-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2CCC(C)(CN)C2)c1C
InChIInChI=1S/C15H23N3O2/c1-9-12(11(3)19)10(2)17-13(9)14(20)18-6-5-15(4,7-16)8-18/h17H,5-8,16H2,1-4H3
InChIKeyLQFSXWVFZVFPKR-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.65
Rot. Bonds3

About 1-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone

1-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone (PubChem CID 120804323) has the molecular formula C15H23N3O2 and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
PubChem CID120804323
Molecular FormulaC15H23N3O2
Molecular Weight277.37 g/mol
Exact Mass277.18
IUPAC Name1-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
SMILESCC(=O)c1c(C)[nH]c(C(=O)N2CCC(C)(CN)C2)c1C
InChIInChI=1S/C15H23N3O2/c1-9-12(11(3)19)10(2)17-13(9)14(20)18-6-5-15(4,7-16)8-18/h17H,5-8,16H2,1-4H3
InChIKeyLQFSXWVFZVFPKR-UHFFFAOYSA-N
XLogP1.65
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2,4-dimethyl-5-[(2S)-2-methylmorpholine-4-carbonyl]-1H-pyrrol-3-yl]ethanone
CID 33311355
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-methyl-1H-pyrrol-3-yl)methanone;hydrochloride
CID 120806462
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(3,5-dimethylphenyl)methanone;hydrochloride
CID 120804378
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4-fluorophenyl)methanone
CID 120804363
1-[4-[(3R,4S)-3-ethyl-4-hydroxy-4-methylpiperidine-1-carbonyl]-3,5-dimethyl-1H-pyrrol-2-yl]ethanone
CID 133109471
1-[5-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-4-ethyl-2-methyl-1H-pyrrol-3-yl]ethanone;hydrochloride
CID 120819242
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,4-dimethyl-1,3-oxazol-5-yl)methanone
CID 120809881
1-[2,4-dimethyl-5-(4-phenylpiperazine-1-carbonyl)-1H-pyrrol-3-yl]ethanone
CID 17391426
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(4,5-dimethylthiophen-2-yl)methanone
CID 120805049
methyl 1-(4-acetyl-3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine-4-carboxylate
CID 17488997
1-[5-[4-(3,5-dichlorobenzoyl)piperazine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone
CID 55558489
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 120808347

Frequently Asked Questions

What is the IUPAC name of 1-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The IUPAC name of 1-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone (CID 120804323) is 1-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The canonical SMILES for 1-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone is CC(=O)c1c(C)[nH]c(C(=O)N2CCC(C)(CN)C2)c1C.
What is the InChIKey of 1-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
The InChIKey is LQFSXWVFZVFPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O2/c1-9-12(11(3)19)10(2)17-13(9)14(20)18-6-5-15(4,7-16)8-18/h17H,5-8,16H2,1-4H3.
What are the key properties of 1-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone?
1-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone has a molecular weight of 277.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[3-(aminomethyl)-3-methylpyrrolidine-1-carbonyl]-2,4-dimethyl-1H-pyrrol-3-yl]ethanone is sourced from PubChem (CID 120804323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).