(E)-3-ethyl-N-hydroxyhept-3-enamide

C9H17NO2 — CID 141365703

IUPAC(E)-3-ethyl-N-hydroxyhept-3-enamide
SMILESCCC/C=C(\CC)CC(=O)NO
InChIInChI=1S/C9H17NO2/c1-3-5-6-8(4-2)7-9(11)10-12/h6,12H,3-5,7H2,1-2H3,(H,10,11)/b8-6+
InChIKeyUKUQUXCEOWMWHR-SOFGYWHQSA-N
MW171.24 g/mol
LogP2.02
Rot. Bonds5

About (E)-3-ethyl-N-hydroxyhept-3-enamide

(E)-3-ethyl-N-hydroxyhept-3-enamide (PubChem CID 141365703) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (E)-3-ethyl-N-hydroxyhept-3-enamide.

Molecular Properties

Compound Name(E)-3-ethyl-N-hydroxyhept-3-enamide
PubChem CID141365703
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(E)-3-ethyl-N-hydroxyhept-3-enamide
SMILESCCC/C=C(\CC)CC(=O)NO
InChIInChI=1S/C9H17NO2/c1-3-5-6-8(4-2)7-9(11)10-12/h6,12H,3-5,7H2,1-2H3,(H,10,11)/b8-6+
InChIKeyUKUQUXCEOWMWHR-SOFGYWHQSA-N
XLogP2.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-ethyl-N-hydroxyhept-3-enamide?
The IUPAC name of (E)-3-ethyl-N-hydroxyhept-3-enamide (CID 141365703) is (E)-3-ethyl-N-hydroxyhept-3-enamide.
What is the SMILES notation for (E)-3-ethyl-N-hydroxyhept-3-enamide?
The canonical SMILES for (E)-3-ethyl-N-hydroxyhept-3-enamide is CCC/C=C(\CC)CC(=O)NO.
What is the InChIKey of (E)-3-ethyl-N-hydroxyhept-3-enamide?
The InChIKey is UKUQUXCEOWMWHR-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-5-6-8(4-2)7-9(11)10-12/h6,12H,3-5,7H2,1-2H3,(H,10,11)/b8-6+.
What are the key properties of (E)-3-ethyl-N-hydroxyhept-3-enamide?
(E)-3-ethyl-N-hydroxyhept-3-enamide has a molecular weight of 171.24 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-N-hydroxyhept-3-enamide is sourced from PubChem (CID 141365703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).