2,2,3-trimethylbut-3-enamide

C7H13NO — CID 55282031

IUPAC2,2,3-trimethylbut-3-enamide
SMILESC=C(C)C(C)(C)C(N)=O
InChIInChI=1S/C7H13NO/c1-5(2)7(3,4)6(8)9/h1H2,2-4H3,(H2,8,9)
InChIKeyJYGBQHSZFYPWID-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.07
Rot. Bonds2

About 2,2,3-trimethylbut-3-enamide

2,2,3-trimethylbut-3-enamide (PubChem CID 55282031) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2,2,3-trimethylbut-3-enamide.

Molecular Properties

Compound Name2,2,3-trimethylbut-3-enamide
PubChem CID55282031
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2,2,3-trimethylbut-3-enamide
SMILESC=C(C)C(C)(C)C(N)=O
InChIInChI=1S/C7H13NO/c1-5(2)7(3,4)6(8)9/h1H2,2-4H3,(H2,8,9)
InChIKeyJYGBQHSZFYPWID-UHFFFAOYSA-N
XLogP1.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethylbut-3-enamide?
The IUPAC name of 2,2,3-trimethylbut-3-enamide (CID 55282031) is 2,2,3-trimethylbut-3-enamide.
What is the SMILES notation for 2,2,3-trimethylbut-3-enamide?
The canonical SMILES for 2,2,3-trimethylbut-3-enamide is C=C(C)C(C)(C)C(N)=O.
What is the InChIKey of 2,2,3-trimethylbut-3-enamide?
The InChIKey is JYGBQHSZFYPWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(2)7(3,4)6(8)9/h1H2,2-4H3,(H2,8,9).
What are the key properties of 2,2,3-trimethylbut-3-enamide?
2,2,3-trimethylbut-3-enamide has a molecular weight of 127.19 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethylbut-3-enamide is sourced from PubChem (CID 55282031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).