(E)-N-(6-oxohexyl)but-2-enamide

C10H17NO2 — CID 59097919

IUPAC(E)-N-(6-oxohexyl)but-2-enamide
SMILESC/C=C/C(=O)NCCCCCC=O
InChIInChI=1S/C10H17NO2/c1-2-7-10(13)11-8-5-3-4-6-9-12/h2,7,9H,3-6,8H2,1H3,(H,11,13)/b7-2+
InChIKeyGYEXPISLHNSCJY-FARCUNLSSA-N
MW183.25 g/mol
LogP1.44
Rot. Bonds7

About (E)-N-(6-oxohexyl)but-2-enamide

(E)-N-(6-oxohexyl)but-2-enamide (PubChem CID 59097919) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (E)-N-(6-oxohexyl)but-2-enamide.

Molecular Properties

Compound Name(E)-N-(6-oxohexyl)but-2-enamide
PubChem CID59097919
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(E)-N-(6-oxohexyl)but-2-enamide
SMILESC/C=C/C(=O)NCCCCCC=O
InChIInChI=1S/C10H17NO2/c1-2-7-10(13)11-8-5-3-4-6-9-12/h2,7,9H,3-6,8H2,1H3,(H,11,13)/b7-2+
InChIKeyGYEXPISLHNSCJY-FARCUNLSSA-N
XLogP1.44
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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 (E)-N-(6-oxohexyl)but-2-enamide?
The IUPAC name of (E)-N-(6-oxohexyl)but-2-enamide (CID 59097919) is (E)-N-(6-oxohexyl)but-2-enamide.
What is the SMILES notation for (E)-N-(6-oxohexyl)but-2-enamide?
The canonical SMILES for (E)-N-(6-oxohexyl)but-2-enamide is C/C=C/C(=O)NCCCCCC=O.
What is the InChIKey of (E)-N-(6-oxohexyl)but-2-enamide?
The InChIKey is GYEXPISLHNSCJY-FARCUNLSSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-7-10(13)11-8-5-3-4-6-9-12/h2,7,9H,3-6,8H2,1H3,(H,11,13)/b7-2+.
What are the key properties of (E)-N-(6-oxohexyl)but-2-enamide?
(E)-N-(6-oxohexyl)but-2-enamide has a molecular weight of 183.25 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(6-oxohexyl)but-2-enamide is sourced from PubChem (CID 59097919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).