hexanamide;pyrrole-2,5-dione

C10H16N2O3 — CID 160585954

IUPAChexanamide;pyrrole-2,5-dione
SMILESCCCCCC(N)=O.O=C1C=CC(=O)N1
InChIInChI=1S/C6H13NO.C4H3NO2/c1-2-3-4-5-6(7)8;6-3-1-2-4(7)5-3/h2-5H2,1H3,(H2,7,8);1-2H,(H,5,6,7)
InChIKeyRCJVSTKAUUJIPN-UHFFFAOYSA-N
MW212.25 g/mol
LogP0.25
Rot. Bonds4

About hexanamide;pyrrole-2,5-dione

hexanamide;pyrrole-2,5-dione (PubChem CID 160585954) has the molecular formula C10H16N2O3 and a molecular weight of 212.25 g/mol. Its IUPAC name is hexanamide;pyrrole-2,5-dione.

Molecular Properties

Compound Namehexanamide;pyrrole-2,5-dione
PubChem CID160585954
Molecular FormulaC10H16N2O3
Molecular Weight212.25 g/mol
Exact Mass212.12
IUPAC Namehexanamide;pyrrole-2,5-dione
SMILESCCCCCC(N)=O.O=C1C=CC(=O)N1
InChIInChI=1S/C6H13NO.C4H3NO2/c1-2-3-4-5-6(7)8;6-3-1-2-4(7)5-3/h2-5H2,1H3,(H2,7,8);1-2H,(H,5,6,7)
InChIKeyRCJVSTKAUUJIPN-UHFFFAOYSA-N
XLogP0.25
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of hexanamide;pyrrole-2,5-dione?
The IUPAC name of hexanamide;pyrrole-2,5-dione (CID 160585954) is hexanamide;pyrrole-2,5-dione.
What is the SMILES notation for hexanamide;pyrrole-2,5-dione?
The canonical SMILES for hexanamide;pyrrole-2,5-dione is CCCCCC(N)=O.O=C1C=CC(=O)N1.
What is the InChIKey of hexanamide;pyrrole-2,5-dione?
The InChIKey is RCJVSTKAUUJIPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.C4H3NO2/c1-2-3-4-5-6(7)8;6-3-1-2-4(7)5-3/h2-5H2,1H3,(H2,7,8);1-2H,(H,5,6,7).
What are the key properties of hexanamide;pyrrole-2,5-dione?
hexanamide;pyrrole-2,5-dione has a molecular weight of 212.25 g/mol, XLogP of 0.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hexanamide;pyrrole-2,5-dione is sourced from PubChem (CID 160585954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).