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

C12H21N3O2 — CID 78983705

IUPACN-[(1-ethylpyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CCC(CNC(=O)C2CNC(=O)C2)C1
InChIInChI=1S/C12H21N3O2/c1-2-15-4-3-9(8-15)6-14-12(17)10-5-11(16)13-7-10/h9-10H,2-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyQTXFNCSWRBWIOC-UHFFFAOYSA-N
MW239.32 g/mol
LogP-0.42
Rot. Bonds4

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

N-[(1-ethylpyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 78983705) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-[(1-ethylpyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
PubChem CID78983705
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-[(1-ethylpyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide
SMILESCCN1CCC(CNC(=O)C2CNC(=O)C2)C1
InChIInChI=1S/C12H21N3O2/c1-2-15-4-3-9(8-15)6-14-12(17)10-5-11(16)13-7-10/h9-10H,2-8H2,1H3,(H,13,16)(H,14,17)
InChIKeyQTXFNCSWRBWIOC-UHFFFAOYSA-N
XLogP-0.42
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]-5-oxopiperazine-2-carboxylic acid
CID 107438078
N-[(3-hydroxycyclobutyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 83193505
3-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1-carboxamide;dihydrochloride
CID 119854746
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80565293
bis(N-[(1-ethylpyrrolidin-3-yl)methyl]acetamide);methane
CID 162144356
(2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 113267408
2-[(1-ethylpyrrolidin-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60862754
N-[(1-ethylpyrrolidin-3-yl)methyl]-6-methylpiperidine-2-carboxamide
CID 60857198
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490
2-amino-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclopentane-1-carboxamide
CID 64824736
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide
CID 92632000
4-[4-(ethylaminomethyl)piperidine-1-carbonyl]pyrrolidin-2-one
CID 81485174

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide (CID 78983705) is N-[(1-ethylpyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is CCN1CCC(CNC(=O)C2CNC(=O)C2)C1.
What is the InChIKey of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is QTXFNCSWRBWIOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-2-15-4-3-9(8-15)6-14-12(17)10-5-11(16)13-7-10/h9-10H,2-8H2,1H3,(H,13,16)(H,14,17).
What are the key properties of N-[(1-ethylpyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide?
N-[(1-ethylpyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrrolidin-3-yl)methyl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 78983705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).