(E)-N-methoxyoct-5-enamide

C9H17NO2 — CID 135085472

IUPAC(E)-N-methoxyoct-5-enamide
SMILESCC/C=C/CCCC(=O)NOC
InChIInChI=1S/C9H17NO2/c1-3-4-5-6-7-8-9(11)10-12-2/h4-5H,3,6-8H2,1-2H3,(H,10,11)/b5-4+
InChIKeyWERDYBMKYWWYHY-SNAWJCMRSA-N
MW171.24 g/mol
LogP1.80
Rot. Bonds6

About (E)-N-methoxyoct-5-enamide

(E)-N-methoxyoct-5-enamide (PubChem CID 135085472) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (E)-N-methoxyoct-5-enamide.

Molecular Properties

Compound Name(E)-N-methoxyoct-5-enamide
PubChem CID135085472
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(E)-N-methoxyoct-5-enamide
SMILESCC/C=C/CCCC(=O)NOC
InChIInChI=1S/C9H17NO2/c1-3-4-5-6-7-8-9(11)10-12-2/h4-5H,3,6-8H2,1-2H3,(H,10,11)/b5-4+
InChIKeyWERDYBMKYWWYHY-SNAWJCMRSA-N
XLogP1.80
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy arachidonoyl amine
CID 5283414
Arachidonate hydroxamic acid
CID 6439861
Docosahexaenamide
CID 44304565
Eicosapentaenamide
CID 44304566
(5E)-N-hydroxyocta-5,7-dienamide
CID 14394704
6-Nonenamide
CID 21282703
Dec-6-enamide
CID 53770900
Dec-5-enamide
CID 54402295
(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenamide
CID 9995053
(5Z,8Z,11Z,14Z,17Z)-N-hydroxyicosa-5,8,11,14,17-pentaenamide
CID 13579829
(E)-N-methoxyhex-4-enamide
CID 122209974
5-Nonenohydroxamic acid
CID 129774624

Frequently Asked Questions

What is the IUPAC name of (E)-N-methoxyoct-5-enamide?
The IUPAC name of (E)-N-methoxyoct-5-enamide (CID 135085472) is (E)-N-methoxyoct-5-enamide.
What is the SMILES notation for (E)-N-methoxyoct-5-enamide?
The canonical SMILES for (E)-N-methoxyoct-5-enamide is CC/C=C/CCCC(=O)NOC.
What is the InChIKey of (E)-N-methoxyoct-5-enamide?
The InChIKey is WERDYBMKYWWYHY-SNAWJCMRSA-N. The full InChI is InChI=1S/C9H17NO2/c1-3-4-5-6-7-8-9(11)10-12-2/h4-5H,3,6-8H2,1-2H3,(H,10,11)/b5-4+.
What are the key properties of (E)-N-methoxyoct-5-enamide?
(E)-N-methoxyoct-5-enamide has a molecular weight of 171.24 g/mol, XLogP of 1.80, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-methoxyoct-5-enamide is sourced from PubChem (CID 135085472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).