3,3-dimethyl-2-methylidenebutanamide

C7H13NO — CID 18539458

IUPAC3,3-dimethyl-2-methylidenebutanamide
SMILESC=C(C(N)=O)C(C)(C)C
InChIInChI=1S/C7H13NO/c1-5(6(8)9)7(2,3)4/h1H2,2-4H3,(H2,8,9)
InChIKeyZAWQXWZJKKICSZ-UHFFFAOYSA-N
MW127.19 g/mol
LogP1.07
Rot. Bonds1

About 3,3-dimethyl-2-methylidenebutanamide

3,3-dimethyl-2-methylidenebutanamide (PubChem CID 18539458) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3,3-dimethyl-2-methylidenebutanamide.

Molecular Properties

Compound Name3,3-dimethyl-2-methylidenebutanamide
PubChem CID18539458
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3,3-dimethyl-2-methylidenebutanamide
SMILESC=C(C(N)=O)C(C)(C)C
InChIInChI=1S/C7H13NO/c1-5(6(8)9)7(2,3)4/h1H2,2-4H3,(H2,8,9)
InChIKeyZAWQXWZJKKICSZ-UHFFFAOYSA-N
XLogP1.07
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Ethylacrylamide
CID 1277665
3-Methyl-2-methylidenebutanamide
CID 18798109
Mercapto ethylacrylamide
CID 129851681
(2Z)-2-(fluoromethylidene)butanamide
CID 89339098
(2E)-2-(fluoromethylidene)butanamide
CID 90023210
2-(Fluoromethylidene)butanamide
CID 140678663
3-Fluoro-2-methylidenebutanamide
CID 175296405
Azane;2-methylidenebutanamide
CID 21932833
3,3-Dimethyl-2-methylidenepentanamide
CID 22440126
2,2,3-Trimethylbut-3-enamide
CID 55282031
3-Methyl-2-methylidenebut-3-enamide
CID 55291482
2-Tert-butylbut-2-enamide
CID 73829006

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-methylidenebutanamide?
The IUPAC name of 3,3-dimethyl-2-methylidenebutanamide (CID 18539458) is 3,3-dimethyl-2-methylidenebutanamide.
What is the SMILES notation for 3,3-dimethyl-2-methylidenebutanamide?
The canonical SMILES for 3,3-dimethyl-2-methylidenebutanamide is C=C(C(N)=O)C(C)(C)C.
What is the InChIKey of 3,3-dimethyl-2-methylidenebutanamide?
The InChIKey is ZAWQXWZJKKICSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-5(6(8)9)7(2,3)4/h1H2,2-4H3,(H2,8,9).
What are the key properties of 3,3-dimethyl-2-methylidenebutanamide?
3,3-dimethyl-2-methylidenebutanamide has a molecular weight of 127.19 g/mol, XLogP of 1.07, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-methylidenebutanamide is sourced from PubChem (CID 18539458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).