3-methyl-N,2-dimethylidenebutanamide

C7H11NO — CID 172829459

IUPAC3-methyl-N,2-dimethylidenebutanamide
SMILESC=NC(=O)C(=C)C(C)C
InChIInChI=1S/C7H11NO/c1-5(2)6(3)7(9)8-4/h5H,3-4H2,1-2H3
InChIKeyVIACHEFSEOIGMN-UHFFFAOYSA-N
MW125.17 g/mol
LogP1.43
Rot. Bonds2

About 3-methyl-N,2-dimethylidenebutanamide

3-methyl-N,2-dimethylidenebutanamide (PubChem CID 172829459) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-methyl-N,2-dimethylidenebutanamide.

Molecular Properties

Compound Name3-methyl-N,2-dimethylidenebutanamide
PubChem CID172829459
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-methyl-N,2-dimethylidenebutanamide
SMILESC=NC(=O)C(=C)C(C)C
InChIInChI=1S/C7H11NO/c1-5(2)6(3)7(9)8-4/h5H,3-4H2,1-2H3
InChIKeyVIACHEFSEOIGMN-UHFFFAOYSA-N
XLogP1.43
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N,2-dimethylidenebutanamide?
The IUPAC name of 3-methyl-N,2-dimethylidenebutanamide (CID 172829459) is 3-methyl-N,2-dimethylidenebutanamide.
What is the SMILES notation for 3-methyl-N,2-dimethylidenebutanamide?
The canonical SMILES for 3-methyl-N,2-dimethylidenebutanamide is C=NC(=O)C(=C)C(C)C.
What is the InChIKey of 3-methyl-N,2-dimethylidenebutanamide?
The InChIKey is VIACHEFSEOIGMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-5(2)6(3)7(9)8-4/h5H,3-4H2,1-2H3.
What are the key properties of 3-methyl-N,2-dimethylidenebutanamide?
3-methyl-N,2-dimethylidenebutanamide has a molecular weight of 125.17 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N,2-dimethylidenebutanamide is sourced from PubChem (CID 172829459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).