(5E)-3-methoxy-1-azacycloundec-5-en-2-one

C11H19NO2 — CID 132518912

IUPAC(5E)-3-methoxy-1-azacycloundec-5-en-2-one
SMILESCOC1C/C=C/CCCCCNC1=O
InChIInChI=1S/C11H19NO2/c1-14-10-8-6-4-2-3-5-7-9-12-11(10)13/h4,6,10H,2-3,5,7-9H2,1H3,(H,12,13)/b6-4+
InChIKeyWPPFFMVPJWWVCM-GQCTYLIASA-N
MW197.28 g/mol
LogP1.64
Rot. Bonds1

About (5E)-3-methoxy-1-azacycloundec-5-en-2-one

(5E)-3-methoxy-1-azacycloundec-5-en-2-one (PubChem CID 132518912) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is (5E)-3-methoxy-1-azacycloundec-5-en-2-one.

Molecular Properties

Compound Name(5E)-3-methoxy-1-azacycloundec-5-en-2-one
PubChem CID132518912
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name(5E)-3-methoxy-1-azacycloundec-5-en-2-one
SMILESCOC1C/C=C/CCCCCNC1=O
InChIInChI=1S/C11H19NO2/c1-14-10-8-6-4-2-3-5-7-9-12-11(10)13/h4,6,10H,2-3,5,7-9H2,1H3,(H,12,13)/b6-4+
InChIKeyWPPFFMVPJWWVCM-GQCTYLIASA-N
XLogP1.64
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 44313787
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CID 129826253
N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]-2-methoxyacetamide
CID 9885294
N-(2-methoxyethyl)icosa-5,8,11,14-tetraenamide
CID 53846610
N-icosa-5,8,11,14-tetraenyl-2-methoxyacetamide
CID 54380110
(5Z,8Z,14Z,17Z)-N-[2-(2-amino-2-oxoethoxy)ethyl]icosa-5,8,11,14,17-pentaenamide
CID 88921714
(4Z,7Z,10Z,13Z,16Z,19Z)-N-[2-(2-amino-2-oxoethoxy)ethyl]docosa-4,7,10,13,16,19-hexaenamide
CID 89700578
(5Z,8Z,11Z,14Z,17Z)-N-[2-(2-amino-2-oxoethoxy)ethyl]icosa-5,8,11,14,17-pentaenamide
CID 89700743
N-(2-methoxyethyl)hex-4-enamide
CID 90804500
N-ethyl-2-icosa-5,8,11,14,17-pentaenoxybutanamide
CID 123334513
N-ethyl-2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]butanamide
CID 138680211
ethane;N-ethyl-2,3-dihydrofuran-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (5E)-3-methoxy-1-azacycloundec-5-en-2-one?
The IUPAC name of (5E)-3-methoxy-1-azacycloundec-5-en-2-one (CID 132518912) is (5E)-3-methoxy-1-azacycloundec-5-en-2-one.
What is the SMILES notation for (5E)-3-methoxy-1-azacycloundec-5-en-2-one?
The canonical SMILES for (5E)-3-methoxy-1-azacycloundec-5-en-2-one is COC1C/C=C/CCCCCNC1=O.
What is the InChIKey of (5E)-3-methoxy-1-azacycloundec-5-en-2-one?
The InChIKey is WPPFFMVPJWWVCM-GQCTYLIASA-N. The full InChI is InChI=1S/C11H19NO2/c1-14-10-8-6-4-2-3-5-7-9-12-11(10)13/h4,6,10H,2-3,5,7-9H2,1H3,(H,12,13)/b6-4+.
What are the key properties of (5E)-3-methoxy-1-azacycloundec-5-en-2-one?
(5E)-3-methoxy-1-azacycloundec-5-en-2-one has a molecular weight of 197.28 g/mol, XLogP of 1.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-3-methoxy-1-azacycloundec-5-en-2-one is sourced from PubChem (CID 132518912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).