N-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide

C12H22N2O2 — CID 142848621

IUPACN-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESC=C1CCC(C(=O)NCCOC)N1C(C)C
InChIInChI=1S/C12H22N2O2/c1-9(2)14-10(3)5-6-11(14)12(15)13-7-8-16-4/h9,11H,3,5-8H2,1-2,4H3,(H,13,15)
InChIKeyZQCAYUHDHZYHEA-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.14
Rot. Bonds5

About N-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide

N-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide (PubChem CID 142848621) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide
PubChem CID142848621
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide
SMILESC=C1CCC(C(=O)NCCOC)N1C(C)C
InChIInChI=1S/C12H22N2O2/c1-9(2)14-10(3)5-6-11(14)12(15)13-7-8-16-4/h9,11H,3,5-8H2,1-2,4H3,(H,13,15)
InChIKeyZQCAYUHDHZYHEA-UHFFFAOYSA-N
XLogP1.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide
CID 21365816
(2S)-N-(2-methoxyethyl)-1-methylpyrrolidine-2-carboxamide
CID 54071451
N,N-dimethyl-5-methylidenepyrrolidine-2-carboxamide
CID 57848993
(2S)-N-(2-methoxyethyl)-N-methylpyrrolidine-2-carboxamide
CID 58007105
N-(2-methoxyethyl)-1-propylpyrrolidine-2-carboxamide
CID 59535672
(2S)-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide
CID 59900107
(2S)-1-methyl-N-[2-(prop-1-en-2-ylamino)oxyethyl]pyrrolidine-2-carboxamide
CID 59900110
N-(2-methoxyethyl)-N-methylpyrrolidine-2-carboxamide
CID 61042731
3-Amino-1-(2-methoxyethyl)-5-methylidenepyrrolidin-2-one
CID 89292094
1-(2-Methoxyethyl)-3-(methylamino)-7-methylideneazepan-2-one
CID 89340851
N-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142848620
N-(2-methoxyethyl)-1-(methylaminomethyl)-5-methylidenepyrrolidine-2-carboxamide
CID 142848622

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide (CID 142848621) is N-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide is C=C1CCC(C(=O)NCCOC)N1C(C)C.
What is the InChIKey of N-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide?
The InChIKey is ZQCAYUHDHZYHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-9(2)14-10(3)5-6-11(14)12(15)13-7-8-16-4/h9,11H,3,5-8H2,1-2,4H3,(H,13,15).
What are the key properties of N-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide?
N-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide has a molecular weight of 226.32 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 142848621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).