N-(2-methoxyethyl)-1-(methylaminomethyl)-5-methylidenepyrrolidine-2-carboxamide

C11H21N3O2 — CID 142848622

IUPACN-(2-methoxyethyl)-1-(methylaminomethyl)-5-methylidenepyrrolidine-2-carboxamide
SMILESC=C1CCC(C(=O)NCCOC)N1CNC
InChIInChI=1S/C11H21N3O2/c1-9-4-5-10(14(9)8-12-2)11(15)13-6-7-16-3/h10,12H,1,4-8H2,2-3H3,(H,13,15)
InChIKeyDNPSUVKSHFGFOQ-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.10
Rot. Bonds6

About N-(2-methoxyethyl)-1-(methylaminomethyl)-5-methylidenepyrrolidine-2-carboxamide

N-(2-methoxyethyl)-1-(methylaminomethyl)-5-methylidenepyrrolidine-2-carboxamide (PubChem CID 142848622) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(2-methoxyethyl)-1-(methylaminomethyl)-5-methylidenepyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-1-(methylaminomethyl)-5-methylidenepyrrolidine-2-carboxamide
PubChem CID142848622
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(2-methoxyethyl)-1-(methylaminomethyl)-5-methylidenepyrrolidine-2-carboxamide
SMILESC=C1CCC(C(=O)NCCOC)N1CNC
InChIInChI=1S/C11H21N3O2/c1-9-4-5-10(14(9)8-12-2)11(15)13-6-7-16-3/h10,12H,1,4-8H2,2-3H3,(H,13,15)
InChIKeyDNPSUVKSHFGFOQ-UHFFFAOYSA-N
XLogP-0.10
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide;molecular hydrogen
CID 142848620
N-(2-methoxyethyl)-5-methylidene-1-propan-2-ylpyrrolidine-2-carboxamide
CID 142848621

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-1-(methylaminomethyl)-5-methylidenepyrrolidine-2-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-1-(methylaminomethyl)-5-methylidenepyrrolidine-2-carboxamide (CID 142848622) is N-(2-methoxyethyl)-1-(methylaminomethyl)-5-methylidenepyrrolidine-2-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-1-(methylaminomethyl)-5-methylidenepyrrolidine-2-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-1-(methylaminomethyl)-5-methylidenepyrrolidine-2-carboxamide is C=C1CCC(C(=O)NCCOC)N1CNC.
What is the InChIKey of N-(2-methoxyethyl)-1-(methylaminomethyl)-5-methylidenepyrrolidine-2-carboxamide?
The InChIKey is DNPSUVKSHFGFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9-4-5-10(14(9)8-12-2)11(15)13-6-7-16-3/h10,12H,1,4-8H2,2-3H3,(H,13,15).
What are the key properties of N-(2-methoxyethyl)-1-(methylaminomethyl)-5-methylidenepyrrolidine-2-carboxamide?
N-(2-methoxyethyl)-1-(methylaminomethyl)-5-methylidenepyrrolidine-2-carboxamide has a molecular weight of 227.31 g/mol, XLogP of -0.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-1-(methylaminomethyl)-5-methylidenepyrrolidine-2-carboxamide is sourced from PubChem (CID 142848622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).