(E)-2-ethyl-N-hydroxyhept-3-enamide

C9H17NO2 — CID 141365704

IUPAC(E)-2-ethyl-N-hydroxyhept-3-enamide
SMILESCCC/C=C/C(CC)C(=O)NO
InChIInChI=1S/C9H17NO2/c1-3-5-6-7-8(4-2)9(11)10-12/h6-8,12H,3-5H2,1-2H3,(H,10,11)/b7-6+
InChIKeyYMDAIYWKUCSGQJ-VOTSOKGWSA-N
MW171.24 g/mol
LogP1.87
Rot. Bonds5

About (E)-2-ethyl-N-hydroxyhept-3-enamide

(E)-2-ethyl-N-hydroxyhept-3-enamide (PubChem CID 141365704) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (E)-2-ethyl-N-hydroxyhept-3-enamide.

Molecular Properties

Compound Name(E)-2-ethyl-N-hydroxyhept-3-enamide
PubChem CID141365704
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(E)-2-ethyl-N-hydroxyhept-3-enamide
SMILESCCC/C=C/C(CC)C(=O)NO
InChIInChI=1S/C9H17NO2/c1-3-5-6-7-8(4-2)9(11)10-12/h6-8,12H,3-5H2,1-2H3,(H,10,11)/b7-6+
InChIKeyYMDAIYWKUCSGQJ-VOTSOKGWSA-N
XLogP1.87
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 ≤ 51.87
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'}

Analyze (E)-2-ethyl-N-hydroxyhept-3-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E,8E)-N-hydroxy-5,9,13-trimethyltetradeca-4,8,12-trienamide
CID 46230684
(4R,5E)-N-hydroxy-4-methylocta-5,7-dienamide
CID 15930225
(E)-2-ethyl-2-fluoro-N-methoxypent-3-enamide
CID 178847447
(5Z,8Z,11Z,14Z,17Z)-N-hydroxyicosa-5,8,11,14,17-pentaenamide
CID 13579829
(E)-N-methoxyhex-4-enamide
CID 122209974
Cyclopent-3-enecarbohydroximic acid
CID 129651391
7-Methyloct-4-enoic amide
CID 129735237
5-Nonenohydroxamic acid
CID 129774624
(4E)-N-hydroxy-5,9-dimethyldeca-4,8-dienamide
CID 121010680
N-hydroxy-5,9-dimethyldeca-4,8-dienamide
CID 131876510
(4Z,7Z,10Z,13Z,16Z,19Z)-2-methyldocosa-4,7,10,13,16,19-hexaenamide
CID 11998059
N-hydroxyhex-4-enamide
CID 53823052

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethyl-N-hydroxyhept-3-enamide?
The IUPAC name of (E)-2-ethyl-N-hydroxyhept-3-enamide (CID 141365704) is (E)-2-ethyl-N-hydroxyhept-3-enamide.
What is the SMILES notation for (E)-2-ethyl-N-hydroxyhept-3-enamide?
The canonical SMILES for (E)-2-ethyl-N-hydroxyhept-3-enamide is CCC/C=C/C(CC)C(=O)NO.
What is the InChIKey of (E)-2-ethyl-N-hydroxyhept-3-enamide?
The InChIKey is YMDAIYWKUCSGQJ-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-5-6-7-8(4-2)9(11)10-12/h6-8,12H,3-5H2,1-2H3,(H,10,11)/b7-6+.
What are the key properties of (E)-2-ethyl-N-hydroxyhept-3-enamide?
(E)-2-ethyl-N-hydroxyhept-3-enamide has a molecular weight of 171.24 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethyl-N-hydroxyhept-3-enamide is sourced from PubChem (CID 141365704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).