acetonitrile;1-ethenylpyrrolidin-2-one

C8H12N2O — CID 70006635

IUPACacetonitrile;1-ethenylpyrrolidin-2-one
SMILESC=CN1CCCC1=O.CC#N
InChIInChI=1S/C6H9NO.C2H3N/c1-2-7-5-3-4-6(7)8;1-2-3/h2H,1,3-5H2;1H3
InChIKeyGJGGVQHACDAPHJ-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.28
Rot. Bonds1

About acetonitrile;1-ethenylpyrrolidin-2-one

acetonitrile;1-ethenylpyrrolidin-2-one (PubChem CID 70006635) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is acetonitrile;1-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Nameacetonitrile;1-ethenylpyrrolidin-2-one
PubChem CID70006635
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Nameacetonitrile;1-ethenylpyrrolidin-2-one
SMILESC=CN1CCCC1=O.CC#N
InChIInChI=1S/C6H9NO.C2H3N/c1-2-7-5-3-4-6(7)8;1-2-3/h2H,1,3-5H2;1H3
InChIKeyGJGGVQHACDAPHJ-UHFFFAOYSA-N
XLogP1.28
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;1-ethenylpyrrolidin-2-one?
The IUPAC name of acetonitrile;1-ethenylpyrrolidin-2-one (CID 70006635) is acetonitrile;1-ethenylpyrrolidin-2-one.
What is the SMILES notation for acetonitrile;1-ethenylpyrrolidin-2-one?
The canonical SMILES for acetonitrile;1-ethenylpyrrolidin-2-one is C=CN1CCCC1=O.CC#N.
What is the InChIKey of acetonitrile;1-ethenylpyrrolidin-2-one?
The InChIKey is GJGGVQHACDAPHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C2H3N/c1-2-7-5-3-4-6(7)8;1-2-3/h2H,1,3-5H2;1H3.
What are the key properties of acetonitrile;1-ethenylpyrrolidin-2-one?
acetonitrile;1-ethenylpyrrolidin-2-one has a molecular weight of 152.20 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;1-ethenylpyrrolidin-2-one is sourced from PubChem (CID 70006635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).