N-ethoxy-2,3-dimethylpyrrolidine-1-carboxamide

C9H18N2O2 — CID 126989361

IUPACN-ethoxy-2,3-dimethylpyrrolidine-1-carboxamide
SMILESCCONC(=O)N1CCC(C)C1C
InChIInChI=1S/C9H18N2O2/c1-4-13-10-9(12)11-6-5-7(2)8(11)3/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyMUBIOVFXNSQTSA-UHFFFAOYSA-N
MW186.25 g/mol
LogP1.38
Rot. Bonds2

About N-ethoxy-2,3-dimethylpyrrolidine-1-carboxamide

N-ethoxy-2,3-dimethylpyrrolidine-1-carboxamide (PubChem CID 126989361) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is N-ethoxy-2,3-dimethylpyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-ethoxy-2,3-dimethylpyrrolidine-1-carboxamide
PubChem CID126989361
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC NameN-ethoxy-2,3-dimethylpyrrolidine-1-carboxamide
SMILESCCONC(=O)N1CCC(C)C1C
InChIInChI=1S/C9H18N2O2/c1-4-13-10-9(12)11-6-5-7(2)8(11)3/h7-8H,4-6H2,1-3H3,(H,10,12)
InChIKeyMUBIOVFXNSQTSA-UHFFFAOYSA-N
XLogP1.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethoxy-2,3-dimethylpyrrolidine-1-carboxamide?
The IUPAC name of N-ethoxy-2,3-dimethylpyrrolidine-1-carboxamide (CID 126989361) is N-ethoxy-2,3-dimethylpyrrolidine-1-carboxamide.
What is the SMILES notation for N-ethoxy-2,3-dimethylpyrrolidine-1-carboxamide?
The canonical SMILES for N-ethoxy-2,3-dimethylpyrrolidine-1-carboxamide is CCONC(=O)N1CCC(C)C1C.
What is the InChIKey of N-ethoxy-2,3-dimethylpyrrolidine-1-carboxamide?
The InChIKey is MUBIOVFXNSQTSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-4-13-10-9(12)11-6-5-7(2)8(11)3/h7-8H,4-6H2,1-3H3,(H,10,12).
What are the key properties of N-ethoxy-2,3-dimethylpyrrolidine-1-carboxamide?
N-ethoxy-2,3-dimethylpyrrolidine-1-carboxamide has a molecular weight of 186.25 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethoxy-2,3-dimethylpyrrolidine-1-carboxamide is sourced from PubChem (CID 126989361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).