N,N-dimethylprop-2-enamide;1-ethenylpyrrolidin-2-one

C11H18N2O2 — CID 69328668

IUPACN,N-dimethylprop-2-enamide;1-ethenylpyrrolidin-2-one
SMILESC=CC(=O)N(C)C.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C5H9NO/c1-2-7-5-3-4-6(7)8;1-4-5(7)6(2)3/h2H,1,3-5H2;4H,1H2,2-3H3
InChIKeyBHELOKYUKOSGLN-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.01
Rot. Bonds2

About N,N-dimethylprop-2-enamide;1-ethenylpyrrolidin-2-one

N,N-dimethylprop-2-enamide;1-ethenylpyrrolidin-2-one (PubChem CID 69328668) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is N,N-dimethylprop-2-enamide;1-ethenylpyrrolidin-2-one.

Molecular Properties

Compound NameN,N-dimethylprop-2-enamide;1-ethenylpyrrolidin-2-one
PubChem CID69328668
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC NameN,N-dimethylprop-2-enamide;1-ethenylpyrrolidin-2-one
SMILESC=CC(=O)N(C)C.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C5H9NO/c1-2-7-5-3-4-6(7)8;1-4-5(7)6(2)3/h2H,1,3-5H2;4H,1H2,2-3H3
InChIKeyBHELOKYUKOSGLN-UHFFFAOYSA-N
XLogP1.01
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.01
H-Bond Donors ≤ 50
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 N,N-dimethylprop-2-enamide;1-ethenylpyrrolidin-2-one?
The IUPAC name of N,N-dimethylprop-2-enamide;1-ethenylpyrrolidin-2-one (CID 69328668) is N,N-dimethylprop-2-enamide;1-ethenylpyrrolidin-2-one.
What is the SMILES notation for N,N-dimethylprop-2-enamide;1-ethenylpyrrolidin-2-one?
The canonical SMILES for N,N-dimethylprop-2-enamide;1-ethenylpyrrolidin-2-one is C=CC(=O)N(C)C.C=CN1CCCC1=O.
What is the InChIKey of N,N-dimethylprop-2-enamide;1-ethenylpyrrolidin-2-one?
The InChIKey is BHELOKYUKOSGLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C5H9NO/c1-2-7-5-3-4-6(7)8;1-4-5(7)6(2)3/h2H,1,3-5H2;4H,1H2,2-3H3.
What are the key properties of N,N-dimethylprop-2-enamide;1-ethenylpyrrolidin-2-one?
N,N-dimethylprop-2-enamide;1-ethenylpyrrolidin-2-one has a molecular weight of 210.28 g/mol, XLogP of 1.01, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylprop-2-enamide;1-ethenylpyrrolidin-2-one is sourced from PubChem (CID 69328668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).