2-cyano-N-(1-hydroxyethyl)-N-methylacetamide

C6H10N2O2 — CID 88839105

IUPAC2-cyano-N-(1-hydroxyethyl)-N-methylacetamide
SMILESCC(O)N(C)C(=O)CC#N
InChIInChI=1S/C6H10N2O2/c1-5(9)8(2)6(10)3-4-7/h5,9H,3H2,1-2H3
InChIKeyVXPDRCNNMAUYIM-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.30
Rot. Bonds2

About 2-cyano-N-(1-hydroxyethyl)-N-methylacetamide

2-cyano-N-(1-hydroxyethyl)-N-methylacetamide (PubChem CID 88839105) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is 2-cyano-N-(1-hydroxyethyl)-N-methylacetamide.

Molecular Properties

Compound Name2-cyano-N-(1-hydroxyethyl)-N-methylacetamide
PubChem CID88839105
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC Name2-cyano-N-(1-hydroxyethyl)-N-methylacetamide
SMILESCC(O)N(C)C(=O)CC#N
InChIInChI=1S/C6H10N2O2/c1-5(9)8(2)6(10)3-4-7/h5,9H,3H2,1-2H3
InChIKeyVXPDRCNNMAUYIM-UHFFFAOYSA-N
XLogP-0.30
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-hydroxyethyl)-N-methylacetamide?
The IUPAC name of 2-cyano-N-(1-hydroxyethyl)-N-methylacetamide (CID 88839105) is 2-cyano-N-(1-hydroxyethyl)-N-methylacetamide.
What is the SMILES notation for 2-cyano-N-(1-hydroxyethyl)-N-methylacetamide?
The canonical SMILES for 2-cyano-N-(1-hydroxyethyl)-N-methylacetamide is CC(O)N(C)C(=O)CC#N.
What is the InChIKey of 2-cyano-N-(1-hydroxyethyl)-N-methylacetamide?
The InChIKey is VXPDRCNNMAUYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-5(9)8(2)6(10)3-4-7/h5,9H,3H2,1-2H3.
What are the key properties of 2-cyano-N-(1-hydroxyethyl)-N-methylacetamide?
2-cyano-N-(1-hydroxyethyl)-N-methylacetamide has a molecular weight of 142.16 g/mol, XLogP of -0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-hydroxyethyl)-N-methylacetamide is sourced from PubChem (CID 88839105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).