2-cyano-N-[(E)-(4,4-dimethyl-2-oxooxolan-3-ylidene)amino]acetamide

C9H11N3O3 — CID 11499450

IUPAC2-cyano-N-[(E)-(4,4-dimethyl-2-oxooxolan-3-ylidene)amino]acetamide
SMILESCC1(C)COC(=O)/C1=N/NC(=O)CC#N
InChIInChI=1S/C9H11N3O3/c1-9(2)5-15-8(14)7(9)12-11-6(13)3-4-10/h3,5H2,1-2H3,(H,11,13)/b12-7-
InChIKeyYWFOHXQKTMBOMQ-GHXNOFRVSA-N
MW209.20 g/mol
LogP-0.04
Rot. Bonds2

About 2-cyano-N-[(E)-(4,4-dimethyl-2-oxooxolan-3-ylidene)amino]acetamide

2-cyano-N-[(E)-(4,4-dimethyl-2-oxooxolan-3-ylidene)amino]acetamide (PubChem CID 11499450) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 2-cyano-N-[(E)-(4,4-dimethyl-2-oxooxolan-3-ylidene)amino]acetamide.

Molecular Properties

Compound Name2-cyano-N-[(E)-(4,4-dimethyl-2-oxooxolan-3-ylidene)amino]acetamide
PubChem CID11499450
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name2-cyano-N-[(E)-(4,4-dimethyl-2-oxooxolan-3-ylidene)amino]acetamide
SMILESCC1(C)COC(=O)/C1=N/NC(=O)CC#N
InChIInChI=1S/C9H11N3O3/c1-9(2)5-15-8(14)7(9)12-11-6(13)3-4-10/h3,5H2,1-2H3,(H,11,13)/b12-7-
InChIKeyYWFOHXQKTMBOMQ-GHXNOFRVSA-N
XLogP-0.04
TPSA91.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-cyano-N-[(E)-(4,4-dimethyl-2-oxooxolan-3-ylidene)amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[(E)-(4,4-dimethyl-2-oxooxolan-3-ylidene)amino]acetamide?
The IUPAC name of 2-cyano-N-[(E)-(4,4-dimethyl-2-oxooxolan-3-ylidene)amino]acetamide (CID 11499450) is 2-cyano-N-[(E)-(4,4-dimethyl-2-oxooxolan-3-ylidene)amino]acetamide.
What is the SMILES notation for 2-cyano-N-[(E)-(4,4-dimethyl-2-oxooxolan-3-ylidene)amino]acetamide?
The canonical SMILES for 2-cyano-N-[(E)-(4,4-dimethyl-2-oxooxolan-3-ylidene)amino]acetamide is CC1(C)COC(=O)/C1=N/NC(=O)CC#N.
What is the InChIKey of 2-cyano-N-[(E)-(4,4-dimethyl-2-oxooxolan-3-ylidene)amino]acetamide?
The InChIKey is YWFOHXQKTMBOMQ-GHXNOFRVSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-9(2)5-15-8(14)7(9)12-11-6(13)3-4-10/h3,5H2,1-2H3,(H,11,13)/b12-7-.
What are the key properties of 2-cyano-N-[(E)-(4,4-dimethyl-2-oxooxolan-3-ylidene)amino]acetamide?
2-cyano-N-[(E)-(4,4-dimethyl-2-oxooxolan-3-ylidene)amino]acetamide has a molecular weight of 209.20 g/mol, XLogP of -0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[(E)-(4,4-dimethyl-2-oxooxolan-3-ylidene)amino]acetamide is sourced from PubChem (CID 11499450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).