1-ethenylpyrrolidin-2-one;2-methylprop-2-enenitrile

C10H14N2O — CID 67183262

IUPAC1-ethenylpyrrolidin-2-one;2-methylprop-2-enenitrile
SMILESC=C(C)C#N.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C4H5N/c1-2-7-5-3-4-6(7)8;1-4(2)3-5/h2H,1,3-5H2;1H2,2H3
InChIKeyPXZXQBSIFAULDY-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.84
Rot. Bonds1

About 1-ethenylpyrrolidin-2-one;2-methylprop-2-enenitrile

1-ethenylpyrrolidin-2-one;2-methylprop-2-enenitrile (PubChem CID 67183262) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is 1-ethenylpyrrolidin-2-one;2-methylprop-2-enenitrile.

Molecular Properties

Compound Name1-ethenylpyrrolidin-2-one;2-methylprop-2-enenitrile
PubChem CID67183262
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name1-ethenylpyrrolidin-2-one;2-methylprop-2-enenitrile
SMILESC=C(C)C#N.C=CN1CCCC1=O
InChIInChI=1S/C6H9NO.C4H5N/c1-2-7-5-3-4-6(7)8;1-4(2)3-5/h2H,1,3-5H2;1H2,2H3
InChIKeyPXZXQBSIFAULDY-UHFFFAOYSA-N
XLogP1.84
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethenylpyrrolidin-2-one;2-methylprop-2-enenitrile?
The IUPAC name of 1-ethenylpyrrolidin-2-one;2-methylprop-2-enenitrile (CID 67183262) is 1-ethenylpyrrolidin-2-one;2-methylprop-2-enenitrile.
What is the SMILES notation for 1-ethenylpyrrolidin-2-one;2-methylprop-2-enenitrile?
The canonical SMILES for 1-ethenylpyrrolidin-2-one;2-methylprop-2-enenitrile is C=C(C)C#N.C=CN1CCCC1=O.
What is the InChIKey of 1-ethenylpyrrolidin-2-one;2-methylprop-2-enenitrile?
The InChIKey is PXZXQBSIFAULDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C4H5N/c1-2-7-5-3-4-6(7)8;1-4(2)3-5/h2H,1,3-5H2;1H2,2H3.
What are the key properties of 1-ethenylpyrrolidin-2-one;2-methylprop-2-enenitrile?
1-ethenylpyrrolidin-2-one;2-methylprop-2-enenitrile has a molecular weight of 178.23 g/mol, XLogP of 1.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylpyrrolidin-2-one;2-methylprop-2-enenitrile is sourced from PubChem (CID 67183262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).