N-tert-butyl-2-cyclobutylideneacetamide

C10H17NO — CID 130685902

IUPACN-tert-butyl-2-cyclobutylideneacetamide
SMILESCC(C)(C)NC(=O)C=C1CCC1
InChIInChI=1S/C10H17NO/c1-10(2,3)11-9(12)7-8-5-4-6-8/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyGFLKDDWSUQCTLL-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.01
Rot. Bonds1

About N-tert-butyl-2-cyclobutylideneacetamide

N-tert-butyl-2-cyclobutylideneacetamide (PubChem CID 130685902) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-tert-butyl-2-cyclobutylideneacetamide.

Molecular Properties

Compound NameN-tert-butyl-2-cyclobutylideneacetamide
PubChem CID130685902
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-tert-butyl-2-cyclobutylideneacetamide
SMILESCC(C)(C)NC(=O)C=C1CCC1
InChIInChI=1S/C10H17NO/c1-10(2,3)11-9(12)7-8-5-4-6-8/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyGFLKDDWSUQCTLL-UHFFFAOYSA-N
XLogP2.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-cyclobutylideneacetamide?
The IUPAC name of N-tert-butyl-2-cyclobutylideneacetamide (CID 130685902) is N-tert-butyl-2-cyclobutylideneacetamide.
What is the SMILES notation for N-tert-butyl-2-cyclobutylideneacetamide?
The canonical SMILES for N-tert-butyl-2-cyclobutylideneacetamide is CC(C)(C)NC(=O)C=C1CCC1.
What is the InChIKey of N-tert-butyl-2-cyclobutylideneacetamide?
The InChIKey is GFLKDDWSUQCTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2,3)11-9(12)7-8-5-4-6-8/h7H,4-6H2,1-3H3,(H,11,12).
What are the key properties of N-tert-butyl-2-cyclobutylideneacetamide?
N-tert-butyl-2-cyclobutylideneacetamide has a molecular weight of 167.25 g/mol, XLogP of 2.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-cyclobutylideneacetamide is sourced from PubChem (CID 130685902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).