acetonitrile;1,3-dimethylimidazolidin-2-one

C7H13N3O — CID 69408679

IUPACacetonitrile;1,3-dimethylimidazolidin-2-one
SMILESCC#N.CN1CCN(C)C1=O
InChIInChI=1S/C5H10N2O.C2H3N/c1-6-3-4-7(2)5(6)8;1-2-3/h3-4H2,1-2H3;1H3
InChIKeyFFHBJVLMORPLIS-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.51
Rot. Bonds

About acetonitrile;1,3-dimethylimidazolidin-2-one

acetonitrile;1,3-dimethylimidazolidin-2-one (PubChem CID 69408679) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is acetonitrile;1,3-dimethylimidazolidin-2-one.

Molecular Properties

Compound Nameacetonitrile;1,3-dimethylimidazolidin-2-one
PubChem CID69408679
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Nameacetonitrile;1,3-dimethylimidazolidin-2-one
SMILESCC#N.CN1CCN(C)C1=O
InChIInChI=1S/C5H10N2O.C2H3N/c1-6-3-4-7(2)5(6)8;1-2-3/h3-4H2,1-2H3;1H3
InChIKeyFFHBJVLMORPLIS-UHFFFAOYSA-N
XLogP0.51
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of acetonitrile;1,3-dimethylimidazolidin-2-one?
The IUPAC name of acetonitrile;1,3-dimethylimidazolidin-2-one (CID 69408679) is acetonitrile;1,3-dimethylimidazolidin-2-one.
What is the SMILES notation for acetonitrile;1,3-dimethylimidazolidin-2-one?
The canonical SMILES for acetonitrile;1,3-dimethylimidazolidin-2-one is CC#N.CN1CCN(C)C1=O.
What is the InChIKey of acetonitrile;1,3-dimethylimidazolidin-2-one?
The InChIKey is FFHBJVLMORPLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.C2H3N/c1-6-3-4-7(2)5(6)8;1-2-3/h3-4H2,1-2H3;1H3.
What are the key properties of acetonitrile;1,3-dimethylimidazolidin-2-one?
acetonitrile;1,3-dimethylimidazolidin-2-one has a molecular weight of 155.20 g/mol, XLogP of 0.51, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetonitrile;1,3-dimethylimidazolidin-2-one is sourced from PubChem (CID 69408679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).