2-methylidenepentanamide

C6H11NO — CID 12525274

IUPAC2-methylidenepentanamide
SMILESC=C(CCC)C(N)=O
InChIInChI=1S/C6H11NO/c1-3-4-5(2)6(7)8/h2-4H2,1H3,(H2,7,8)
InChIKeyYICILWNDMQTUIY-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.83
Rot. Bonds3

About 2-methylidenepentanamide

2-methylidenepentanamide (PubChem CID 12525274) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 2-methylidenepentanamide.

Molecular Properties

Compound Name2-methylidenepentanamide
PubChem CID12525274
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name2-methylidenepentanamide
SMILESC=C(CCC)C(N)=O
InChIInChI=1S/C6H11NO/c1-3-4-5(2)6(7)8/h2-4H2,1H3,(H2,7,8)
InChIKeyYICILWNDMQTUIY-UHFFFAOYSA-N
XLogP0.83
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.83
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
Butylacrylamide
CID 12525275
Pentylacrylamide
CID 12525276
N,N'-methylene(bisacrylamide)
CID 17956053
2-Methylidenepent-4-enamide
CID 18352041
3-Methyl-2-methylidenebutanamide
CID 18798109
Cyclopropylacrylamide
CID 19352302
4-Methyl-4-pentenamide
CID 20520569
s-Butylacrylamide
CID 22556176
Ethylpropylacrylamide
CID 57220106
Mercapto ethylacrylamide
CID 129851681
3-Fluoro-2-methylidenehexanamide
CID 87364885

Frequently Asked Questions

What is the IUPAC name of 2-methylidenepentanamide?
The IUPAC name of 2-methylidenepentanamide (CID 12525274) is 2-methylidenepentanamide.
What is the SMILES notation for 2-methylidenepentanamide?
The canonical SMILES for 2-methylidenepentanamide is C=C(CCC)C(N)=O.
What is the InChIKey of 2-methylidenepentanamide?
The InChIKey is YICILWNDMQTUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-3-4-5(2)6(7)8/h2-4H2,1H3,(H2,7,8).
What are the key properties of 2-methylidenepentanamide?
2-methylidenepentanamide has a molecular weight of 113.16 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenepentanamide is sourced from PubChem (CID 12525274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).