1-ethenylpyrrolidin-2-one;2-methylbut-2-enamide

C11H18N2O2 — CID 66617082

IUPAC1-ethenylpyrrolidin-2-one;2-methylbut-2-enamide
SMILESC=CN1CCCC1=O.CC=C(C)C(N)=O
InChIInChI=1S/C6H9NO.C5H9NO/c1-2-7-5-3-4-6(7)8;1-3-4(2)5(6)7/h2H,1,3-5H2;3H,1-2H3,(H2,6,7)
InChIKeyACCVYCBGPSWXRK-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.19
Rot. Bonds2

About 1-ethenylpyrrolidin-2-one;2-methylbut-2-enamide

1-ethenylpyrrolidin-2-one;2-methylbut-2-enamide (PubChem CID 66617082) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;2-methylbut-2-enamide.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;2-methylbut-2-enamide
PubChem CID66617082
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-ethenylpyrrolidin-2-one;2-methylbut-2-enamide
SMILESC=CN1CCCC1=O.CC=C(C)C(N)=O
InChIInChI=1S/C6H9NO.C5H9NO/c1-2-7-5-3-4-6(7)8;1-3-4(2)5(6)7/h2H,1,3-5H2;3H,1-2H3,(H2,6,7)
InChIKeyACCVYCBGPSWXRK-UHFFFAOYSA-N
XLogP1.19
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.19
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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Related Compounds

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CID 70547170
tert-butyl 2-methylprop-2-enoate;1-ethenylpyrrolidin-2-one
CID 174397368
CID 118536399
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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrrolidin-2-one;2-methylbut-2-enamide?
The IUPAC name of 1-ethenylpyrrolidin-2-one;2-methylbut-2-enamide (CID 66617082) is 1-ethenylpyrrolidin-2-one;2-methylbut-2-enamide.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;2-methylbut-2-enamide?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;2-methylbut-2-enamide is C=CN1CCCC1=O.CC=C(C)C(N)=O.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;2-methylbut-2-enamide?
The InChIKey is ACCVYCBGPSWXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C5H9NO/c1-2-7-5-3-4-6(7)8;1-3-4(2)5(6)7/h2H,1,3-5H2;3H,1-2H3,(H2,6,7).
What are the key properties of 1-ethenylpyrrolidin-2-one;2-methylbut-2-enamide?
1-ethenylpyrrolidin-2-one;2-methylbut-2-enamide has a molecular weight of 210.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidin-2-one;2-methylbut-2-enamide is sourced from PubChem (CID 66617082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).