3-methyl-2-methylidenebutanamide

C6H11NO — CID 18798109

IUPAC3-methyl-2-methylidenebutanamide
SMILESC=C(C(N)=O)C(C)C
InChIInChI=1S/C6H11NO/c1-4(2)5(3)6(7)8/h4H,3H2,1-2H3,(H2,7,8)
InChIKeyQPMZMJZDPOJMLC-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.68
Rot. Bonds2

About 3-methyl-2-methylidenebutanamide

3-methyl-2-methylidenebutanamide (PubChem CID 18798109) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-methyl-2-methylidenebutanamide.

Molecular Properties

Compound Name3-methyl-2-methylidenebutanamide
PubChem CID18798109
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-methyl-2-methylidenebutanamide
SMILESC=C(C(N)=O)C(C)C
InChIInChI=1S/C6H11NO/c1-4(2)5(3)6(7)8/h4H,3H2,1-2H3,(H2,7,8)
InChIKeyQPMZMJZDPOJMLC-UHFFFAOYSA-N
XLogP0.68
TPSA43.09 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 ≤ 50.68
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
Propylacrylamide
CID 12525274
2-Methylidenepent-4-enamide
CID 18352041
t-Butylacrylamide
CID 18539458
s-Butylacrylamide
CID 22556176
4-Amino-3-methyl-2-methylidenebutanamide
CID 129829897
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
4-Fluoro-2-methylidenebutanamide
CID 176577391

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidenebutanamide?
The IUPAC name of 3-methyl-2-methylidenebutanamide (CID 18798109) is 3-methyl-2-methylidenebutanamide.
What is the SMILES notation for 3-methyl-2-methylidenebutanamide?
The canonical SMILES for 3-methyl-2-methylidenebutanamide is C=C(C(N)=O)C(C)C.
What is the InChIKey of 3-methyl-2-methylidenebutanamide?
The InChIKey is QPMZMJZDPOJMLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-4(2)5(3)6(7)8/h4H,3H2,1-2H3,(H2,7,8).
What are the key properties of 3-methyl-2-methylidenebutanamide?
3-methyl-2-methylidenebutanamide has a molecular weight of 113.16 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidenebutanamide is sourced from PubChem (CID 18798109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).