4-hydroxynon-2-enamide

C9H17NO2 — CID 173290647

IUPAC4-hydroxynon-2-enamide
SMILESCCCCCC(O)C=CC(N)=O
InChIInChI=1S/C9H17NO2/c1-2-3-4-5-8(11)6-7-9(10)12/h6-8,11H,2-5H2,1H3,(H2,10,12)
InChIKeyZYSVYGHOSRDIEA-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.97
Rot. Bonds6

About 4-hydroxynon-2-enamide

4-hydroxynon-2-enamide (PubChem CID 173290647) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 4-hydroxynon-2-enamide.

Molecular Properties

Compound Name4-hydroxynon-2-enamide
PubChem CID173290647
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name4-hydroxynon-2-enamide
SMILESCCCCCC(O)C=CC(N)=O
InChIInChI=1S/C9H17NO2/c1-2-3-4-5-8(11)6-7-9(10)12/h6-8,11H,2-5H2,1H3,(H2,10,12)
InChIKeyZYSVYGHOSRDIEA-UHFFFAOYSA-N
XLogP0.97
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 4-hydroxynon-2-enamide?
The IUPAC name of 4-hydroxynon-2-enamide (CID 173290647) is 4-hydroxynon-2-enamide.
What is the SMILES notation for 4-hydroxynon-2-enamide?
The canonical SMILES for 4-hydroxynon-2-enamide is CCCCCC(O)C=CC(N)=O.
What is the InChIKey of 4-hydroxynon-2-enamide?
The InChIKey is ZYSVYGHOSRDIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-2-3-4-5-8(11)6-7-9(10)12/h6-8,11H,2-5H2,1H3,(H2,10,12).
What are the key properties of 4-hydroxynon-2-enamide?
4-hydroxynon-2-enamide has a molecular weight of 171.24 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxynon-2-enamide is sourced from PubChem (CID 173290647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).