1-ethylpyrrolidine;2-methylprop-2-enamide

C10H20N2O — CID 163676291

IUPAC1-ethylpyrrolidine;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.CCN1CCCC1
InChIInChI=1S/C6H13N.C4H7NO/c1-2-7-5-3-4-6-7;1-3(2)4(5)6/h2-6H2,1H3;1H2,2H3,(H2,5,6)
InChIKeyJGZGDFTYAHZXOL-UHFFFAOYSA-N
MW184.28 g/mol
LogP1.15
Rot. Bonds2

About 1-ethylpyrrolidine;2-methylprop-2-enamide

1-ethylpyrrolidine;2-methylprop-2-enamide (PubChem CID 163676291) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-ethylpyrrolidine;2-methylprop-2-enamide.

Molecular Properties

Compound Name1-ethylpyrrolidine;2-methylprop-2-enamide
PubChem CID163676291
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-ethylpyrrolidine;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.CCN1CCCC1
InChIInChI=1S/C6H13N.C4H7NO/c1-2-7-5-3-4-6-7;1-3(2)4(5)6/h2-6H2,1H3;1H2,2H3,(H2,5,6)
InChIKeyJGZGDFTYAHZXOL-UHFFFAOYSA-N
XLogP1.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethylpyrrolidine;2-methylprop-2-enamide?
The IUPAC name of 1-ethylpyrrolidine;2-methylprop-2-enamide (CID 163676291) is 1-ethylpyrrolidine;2-methylprop-2-enamide.
What is the SMILES notation for 1-ethylpyrrolidine;2-methylprop-2-enamide?
The canonical SMILES for 1-ethylpyrrolidine;2-methylprop-2-enamide is C=C(C)C(N)=O.CCN1CCCC1.
What is the InChIKey of 1-ethylpyrrolidine;2-methylprop-2-enamide?
The InChIKey is JGZGDFTYAHZXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N.C4H7NO/c1-2-7-5-3-4-6-7;1-3(2)4(5)6/h2-6H2,1H3;1H2,2H3,(H2,5,6).
What are the key properties of 1-ethylpyrrolidine;2-methylprop-2-enamide?
1-ethylpyrrolidine;2-methylprop-2-enamide has a molecular weight of 184.28 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylpyrrolidine;2-methylprop-2-enamide is sourced from PubChem (CID 163676291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).