1-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide

C12H20N2O2 — CID 70115748

IUPAC1-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)C.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C6H11NO/c1-2-7-5-3-4-6(7)8;1-4-6(8)7-5(2)3/h2H,1,3-5H2;4-5H,1H2,2-3H3,(H,7,8)
InChIKeyBRMXEOXSCOLHQP-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.45
Rot. Bonds3

About 1-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide

1-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide (PubChem CID 70115748) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide
PubChem CID70115748
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name1-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide
SMILESC=CC(=O)NC(C)C.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C6H11NO/c1-2-7-5-3-4-6(7)8;1-4-6(8)7-5(2)3/h2H,1,3-5H2;4-5H,1H2,2-3H3,(H,7,8)
InChIKeyBRMXEOXSCOLHQP-UHFFFAOYSA-N
XLogP1.45
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.45
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-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide?
The IUPAC name of 1-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide (CID 70115748) is 1-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide is C=CC(=O)NC(C)C.C=CN1CCCC1=O.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide?
The InChIKey is BRMXEOXSCOLHQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C6H11NO/c1-2-7-5-3-4-6(7)8;1-4-6(8)7-5(2)3/h2H,1,3-5H2;4-5H,1H2,2-3H3,(H,7,8).
What are the key properties of 1-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide?
1-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide has a molecular weight of 224.30 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidin-2-one;N-propan-2-ylprop-2-enamide is sourced from PubChem (CID 70115748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).