(2Z)-N-tert-butyl-2-cyano-2-(oxolan-2-ylidene)acetamide

C11H16N2O2 — CID 15363548

IUPAC(2Z)-N-tert-butyl-2-cyano-2-(oxolan-2-ylidene)acetamide
SMILESCC(C)(C)NC(=O)/C(C#N)=C1/CCCO1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)13-10(14)8(7-12)9-5-4-6-15-9/h4-6H2,1-3H3,(H,13,14)/b9-8-
InChIKeyHUCMVGVIGPQILI-HJWRWDBZSA-N
MW208.26 g/mol
LogP1.49
Rot. Bonds1

About (2Z)-N-tert-butyl-2-cyano-2-(oxolan-2-ylidene)acetamide

(2Z)-N-tert-butyl-2-cyano-2-(oxolan-2-ylidene)acetamide (PubChem CID 15363548) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (2Z)-N-tert-butyl-2-cyano-2-(oxolan-2-ylidene)acetamide.

Molecular Properties

Compound Name(2Z)-N-tert-butyl-2-cyano-2-(oxolan-2-ylidene)acetamide
PubChem CID15363548
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name(2Z)-N-tert-butyl-2-cyano-2-(oxolan-2-ylidene)acetamide
SMILESCC(C)(C)NC(=O)/C(C#N)=C1/CCCO1
InChIInChI=1S/C11H16N2O2/c1-11(2,3)13-10(14)8(7-12)9-5-4-6-15-9/h4-6H2,1-3H3,(H,13,14)/b9-8-
InChIKeyHUCMVGVIGPQILI-HJWRWDBZSA-N
XLogP1.49
TPSA62.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z)-N-tert-butyl-2-cyano-2-(oxolan-2-ylidene)acetamide?
The IUPAC name of (2Z)-N-tert-butyl-2-cyano-2-(oxolan-2-ylidene)acetamide (CID 15363548) is (2Z)-N-tert-butyl-2-cyano-2-(oxolan-2-ylidene)acetamide.
What is the SMILES notation for (2Z)-N-tert-butyl-2-cyano-2-(oxolan-2-ylidene)acetamide?
The canonical SMILES for (2Z)-N-tert-butyl-2-cyano-2-(oxolan-2-ylidene)acetamide is CC(C)(C)NC(=O)/C(C#N)=C1/CCCO1.
What is the InChIKey of (2Z)-N-tert-butyl-2-cyano-2-(oxolan-2-ylidene)acetamide?
The InChIKey is HUCMVGVIGPQILI-HJWRWDBZSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-11(2,3)13-10(14)8(7-12)9-5-4-6-15-9/h4-6H2,1-3H3,(H,13,14)/b9-8-.
What are the key properties of (2Z)-N-tert-butyl-2-cyano-2-(oxolan-2-ylidene)acetamide?
(2Z)-N-tert-butyl-2-cyano-2-(oxolan-2-ylidene)acetamide has a molecular weight of 208.26 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-tert-butyl-2-cyano-2-(oxolan-2-ylidene)acetamide is sourced from PubChem (CID 15363548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).