4-hydroxy-N-(1-oxohex-5-en-2-yl)butanamide

C10H17NO3 — CID 90321095

IUPAC4-hydroxy-N-(1-oxohex-5-en-2-yl)butanamide
SMILESC=CCCC(C=O)NC(=O)CCCO
InChIInChI=1S/C10H17NO3/c1-2-3-5-9(8-13)11-10(14)6-4-7-12/h2,8-9,12H,1,3-7H2,(H,11,14)
InChIKeyLFGZMNCIIDWVGP-UHFFFAOYSA-N
MW199.25 g/mol
LogP0.41
Rot. Bonds8

About 4-hydroxy-N-(1-oxohex-5-en-2-yl)butanamide

4-hydroxy-N-(1-oxohex-5-en-2-yl)butanamide (PubChem CID 90321095) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is 4-hydroxy-N-(1-oxohex-5-en-2-yl)butanamide.

Molecular Properties

Compound Name4-hydroxy-N-(1-oxohex-5-en-2-yl)butanamide
PubChem CID90321095
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name4-hydroxy-N-(1-oxohex-5-en-2-yl)butanamide
SMILESC=CCCC(C=O)NC(=O)CCCO
InChIInChI=1S/C10H17NO3/c1-2-3-5-9(8-13)11-10(14)6-4-7-12/h2,8-9,12H,1,3-7H2,(H,11,14)
InChIKeyLFGZMNCIIDWVGP-UHFFFAOYSA-N
XLogP0.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-(1-oxohex-5-en-2-yl)butanamide?
The IUPAC name of 4-hydroxy-N-(1-oxohex-5-en-2-yl)butanamide (CID 90321095) is 4-hydroxy-N-(1-oxohex-5-en-2-yl)butanamide.
What is the SMILES notation for 4-hydroxy-N-(1-oxohex-5-en-2-yl)butanamide?
The canonical SMILES for 4-hydroxy-N-(1-oxohex-5-en-2-yl)butanamide is C=CCCC(C=O)NC(=O)CCCO.
What is the InChIKey of 4-hydroxy-N-(1-oxohex-5-en-2-yl)butanamide?
The InChIKey is LFGZMNCIIDWVGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-2-3-5-9(8-13)11-10(14)6-4-7-12/h2,8-9,12H,1,3-7H2,(H,11,14).
What are the key properties of 4-hydroxy-N-(1-oxohex-5-en-2-yl)butanamide?
4-hydroxy-N-(1-oxohex-5-en-2-yl)butanamide has a molecular weight of 199.25 g/mol, XLogP of 0.41, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-(1-oxohex-5-en-2-yl)butanamide is sourced from PubChem (CID 90321095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).