2-methylideneheptanamide

C8H15NO — CID 12525276

IUPAC2-methylideneheptanamide
SMILESC=C(CCCCC)C(N)=O
InChIInChI=1S/C8H15NO/c1-3-4-5-6-7(2)8(9)10/h2-6H2,1H3,(H2,9,10)
InChIKeyMDWQJONTESEWGV-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.61
Rot. Bonds5

About 2-methylideneheptanamide

2-methylideneheptanamide (PubChem CID 12525276) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-methylideneheptanamide.

Molecular Properties

Compound Name2-methylideneheptanamide
PubChem CID12525276
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-methylideneheptanamide
SMILESC=C(CCCCC)C(N)=O
InChIInChI=1S/C8H15NO/c1-3-4-5-6-7(2)8(9)10/h2-6H2,1H3,(H2,9,10)
InChIKeyMDWQJONTESEWGV-UHFFFAOYSA-N
XLogP1.61
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methylideneheptanamide?
The IUPAC name of 2-methylideneheptanamide (CID 12525276) is 2-methylideneheptanamide.
What is the SMILES notation for 2-methylideneheptanamide?
The canonical SMILES for 2-methylideneheptanamide is C=C(CCCCC)C(N)=O.
What is the InChIKey of 2-methylideneheptanamide?
The InChIKey is MDWQJONTESEWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-5-6-7(2)8(9)10/h2-6H2,1H3,(H2,9,10).
What are the key properties of 2-methylideneheptanamide?
2-methylideneheptanamide has a molecular weight of 141.21 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylideneheptanamide is sourced from PubChem (CID 12525276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).