2-methylidenepentanamide;prop-2-enamide

C9H16N2O2 — CID 157466233

IUPAC2-methylidenepentanamide;prop-2-enamide
SMILESC=C(CCC)C(N)=O.C=CC(N)=O
InChIInChI=1S/C6H11NO.C3H5NO/c1-3-4-5(2)6(7)8;1-2-3(4)5/h2-4H2,1H3,(H2,7,8);2H,1H2,(H2,4,5)
InChIKeyBUMZCVJQWDUQJH-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.49
Rot. Bonds4

About 2-methylidenepentanamide;prop-2-enamide

2-methylidenepentanamide;prop-2-enamide (PubChem CID 157466233) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 2-methylidenepentanamide;prop-2-enamide.

Molecular Properties

Compound Name2-methylidenepentanamide;prop-2-enamide
PubChem CID157466233
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC Name2-methylidenepentanamide;prop-2-enamide
SMILESC=C(CCC)C(N)=O.C=CC(N)=O
InChIInChI=1S/C6H11NO.C3H5NO/c1-3-4-5(2)6(7)8;1-2-3(4)5/h2-4H2,1H3,(H2,7,8);2H,1H2,(H2,4,5)
InChIKeyBUMZCVJQWDUQJH-UHFFFAOYSA-N
XLogP0.49
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-methylidenepentadecanamide
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Frequently Asked Questions

What is the IUPAC name of 2-methylidenepentanamide;prop-2-enamide?
The IUPAC name of 2-methylidenepentanamide;prop-2-enamide (CID 157466233) is 2-methylidenepentanamide;prop-2-enamide.
What is the SMILES notation for 2-methylidenepentanamide;prop-2-enamide?
The canonical SMILES for 2-methylidenepentanamide;prop-2-enamide is C=C(CCC)C(N)=O.C=CC(N)=O.
What is the InChIKey of 2-methylidenepentanamide;prop-2-enamide?
The InChIKey is BUMZCVJQWDUQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C3H5NO/c1-3-4-5(2)6(7)8;1-2-3(4)5/h2-4H2,1H3,(H2,7,8);2H,1H2,(H2,4,5).
What are the key properties of 2-methylidenepentanamide;prop-2-enamide?
2-methylidenepentanamide;prop-2-enamide has a molecular weight of 184.24 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenepentanamide;prop-2-enamide is sourced from PubChem (CID 157466233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).