N-[(E)-1,3-dihydroxyoct-4-en-2-yl]acetamide

C10H19NO3 — CID 14883528

IUPACN-[(E)-1,3-dihydroxyoct-4-en-2-yl]acetamide
SMILESCCC/C=C/C(O)C(CO)NC(C)=O
InChIInChI=1S/C10H19NO3/c1-3-4-5-6-10(14)9(7-12)11-8(2)13/h5-6,9-10,12,14H,3-4,7H2,1-2H3,(H,11,13)/b6-5+
InChIKeyJUSMCBHYYNHOOK-AATRIKPKSA-N
MW201.27 g/mol
LogP0.20
Rot. Bonds6

About N-[(E)-1,3-dihydroxyoct-4-en-2-yl]acetamide

N-[(E)-1,3-dihydroxyoct-4-en-2-yl]acetamide (PubChem CID 14883528) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is N-[(E)-1,3-dihydroxyoct-4-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-1,3-dihydroxyoct-4-en-2-yl]acetamide
PubChem CID14883528
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC NameN-[(E)-1,3-dihydroxyoct-4-en-2-yl]acetamide
SMILESCCC/C=C/C(O)C(CO)NC(C)=O
InChIInChI=1S/C10H19NO3/c1-3-4-5-6-10(14)9(7-12)11-8(2)13/h5-6,9-10,12,14H,3-4,7H2,1-2H3,(H,11,13)/b6-5+
InChIKeyJUSMCBHYYNHOOK-AATRIKPKSA-N
XLogP0.20
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,3-dihydroxyoct-4-en-2-yl]acetamide?
The IUPAC name of N-[(E)-1,3-dihydroxyoct-4-en-2-yl]acetamide (CID 14883528) is N-[(E)-1,3-dihydroxyoct-4-en-2-yl]acetamide.
What is the SMILES notation for N-[(E)-1,3-dihydroxyoct-4-en-2-yl]acetamide?
The canonical SMILES for N-[(E)-1,3-dihydroxyoct-4-en-2-yl]acetamide is CCC/C=C/C(O)C(CO)NC(C)=O.
What is the InChIKey of N-[(E)-1,3-dihydroxyoct-4-en-2-yl]acetamide?
The InChIKey is JUSMCBHYYNHOOK-AATRIKPKSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-4-5-6-10(14)9(7-12)11-8(2)13/h5-6,9-10,12,14H,3-4,7H2,1-2H3,(H,11,13)/b6-5+.
What are the key properties of N-[(E)-1,3-dihydroxyoct-4-en-2-yl]acetamide?
N-[(E)-1,3-dihydroxyoct-4-en-2-yl]acetamide has a molecular weight of 201.27 g/mol, XLogP of 0.20, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,3-dihydroxyoct-4-en-2-yl]acetamide is sourced from PubChem (CID 14883528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).