(Z)-N-(5-hydroxypentyl)-4-oxopent-2-enamide

C10H17NO3 — CID 138457935

IUPAC(Z)-N-(5-hydroxypentyl)-4-oxopent-2-enamide
SMILESCC(=O)/C=C\C(=O)NCCCCCO
InChIInChI=1S/C10H17NO3/c1-9(13)5-6-10(14)11-7-3-2-4-8-12/h5-6,12H,2-4,7-8H2,1H3,(H,11,14)/b6-5-
InChIKeyLJLYROOFFKOUNS-WAYWQWQTSA-N
MW199.25 g/mol
LogP0.41
Rot. Bonds7

About (Z)-N-(5-hydroxypentyl)-4-oxopent-2-enamide

(Z)-N-(5-hydroxypentyl)-4-oxopent-2-enamide (PubChem CID 138457935) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is (Z)-N-(5-hydroxypentyl)-4-oxopent-2-enamide.

Molecular Properties

Compound Name(Z)-N-(5-hydroxypentyl)-4-oxopent-2-enamide
PubChem CID138457935
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Name(Z)-N-(5-hydroxypentyl)-4-oxopent-2-enamide
SMILESCC(=O)/C=C\C(=O)NCCCCCO
InChIInChI=1S/C10H17NO3/c1-9(13)5-6-10(14)11-7-3-2-4-8-12/h5-6,12H,2-4,7-8H2,1H3,(H,11,14)/b6-5-
InChIKeyLJLYROOFFKOUNS-WAYWQWQTSA-N
XLogP0.41
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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': '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 (Z)-N-(5-hydroxypentyl)-4-oxopent-2-enamide?
The IUPAC name of (Z)-N-(5-hydroxypentyl)-4-oxopent-2-enamide (CID 138457935) is (Z)-N-(5-hydroxypentyl)-4-oxopent-2-enamide.
What is the SMILES notation for (Z)-N-(5-hydroxypentyl)-4-oxopent-2-enamide?
The canonical SMILES for (Z)-N-(5-hydroxypentyl)-4-oxopent-2-enamide is CC(=O)/C=C\C(=O)NCCCCCO.
What is the InChIKey of (Z)-N-(5-hydroxypentyl)-4-oxopent-2-enamide?
The InChIKey is LJLYROOFFKOUNS-WAYWQWQTSA-N. The full InChI is InChI=1S/C10H17NO3/c1-9(13)5-6-10(14)11-7-3-2-4-8-12/h5-6,12H,2-4,7-8H2,1H3,(H,11,14)/b6-5-.
What are the key properties of (Z)-N-(5-hydroxypentyl)-4-oxopent-2-enamide?
(Z)-N-(5-hydroxypentyl)-4-oxopent-2-enamide has a molecular weight of 199.25 g/mol, XLogP of 0.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(5-hydroxypentyl)-4-oxopent-2-enamide is sourced from PubChem (CID 138457935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).