N-methyl-2-methylidenebutanamide

C6H11NO — CID 12587301

IUPACN-methyl-2-methylidenebutanamide
SMILESC=C(CC)C(=O)NC
InChIInChI=1S/C6H11NO/c1-4-5(2)6(8)7-3/h2,4H2,1,3H3,(H,7,8)
InChIKeyWNGJXZAZBJIYFZ-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.70
Rot. Bonds2

About N-methyl-2-methylidenebutanamide

N-methyl-2-methylidenebutanamide (PubChem CID 12587301) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is N-methyl-2-methylidenebutanamide.

Molecular Properties

Compound NameN-methyl-2-methylidenebutanamide
PubChem CID12587301
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC NameN-methyl-2-methylidenebutanamide
SMILESC=C(CC)C(=O)NC
InChIInChI=1S/C6H11NO/c1-4-5(2)6(8)7-3/h2,4H2,1,3H3,(H,7,8)
InChIKeyWNGJXZAZBJIYFZ-UHFFFAOYSA-N
XLogP0.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.70
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-methyl-2-methylidenebutanamide?
The IUPAC name of N-methyl-2-methylidenebutanamide (CID 12587301) is N-methyl-2-methylidenebutanamide.
What is the SMILES notation for N-methyl-2-methylidenebutanamide?
The canonical SMILES for N-methyl-2-methylidenebutanamide is C=C(CC)C(=O)NC.
What is the InChIKey of N-methyl-2-methylidenebutanamide?
The InChIKey is WNGJXZAZBJIYFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-4-5(2)6(8)7-3/h2,4H2,1,3H3,(H,7,8).
What are the key properties of N-methyl-2-methylidenebutanamide?
N-methyl-2-methylidenebutanamide has a molecular weight of 113.16 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylidenebutanamide is sourced from PubChem (CID 12587301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).