N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

C13H23N3O2 — CID 79465871

IUPACN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)C1CNC(=O)C1
InChIInChI=1S/C13H23N3O2/c1-3-16-6-4-5-11(16)9-15(2)13(18)10-7-12(17)14-8-10/h10-11H,3-9H2,1-2H3,(H,14,17)
InChIKeyJJQKEOMDBQROLC-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.07
Rot. Bonds4

About N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide

N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (PubChem CID 79465871) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
PubChem CID79465871
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CCCC1CN(C)C(=O)C1CNC(=O)C1
InChIInChI=1S/C13H23N3O2/c1-3-16-6-4-5-11(16)9-15(2)13(18)10-7-12(17)14-8-10/h10-11H,3-9H2,1-2H3,(H,14,17)
InChIKeyJJQKEOMDBQROLC-UHFFFAOYSA-N
XLogP0.07
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclohexane-1-carboxamide
CID 79313305
trans-(1R,3R)-3-amino-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-N-methylcyclohexane-1-carboxamide
CID 124671626
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpyrrolidine-1-carboxamide
CID 113248160
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpiperidine-2-carboxamide
CID 79313592
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,6-dimethylpiperidine-2-carboxamide
CID 79319501
2-(azetidin-3-yl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylacetamide
CID 79314252
N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 79312453
2-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcyclopentane-1-carboxamide;dihydrochloride
CID 119882077
3-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 79313879
2-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylpropanamide
CID 107905439
4-amino-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2-dimethylcyclohexane-1-carboxamide
CID 79312799
1-[(1-ethylpyrrolidin-2-yl)methyl-methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 79314977

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide (CID 79465871) is N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is CCN1CCCC1CN(C)C(=O)C1CNC(=O)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JJQKEOMDBQROLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-3-16-6-4-5-11(16)9-15(2)13(18)10-7-12(17)14-8-10/h10-11H,3-9H2,1-2H3,(H,14,17).
What are the key properties of N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide?
N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methyl-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 79465871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).