(6Z)-9-methoxy-2,3,4,5,8,9-hexahydro-1H-azecin-10-one

C10H17NO2 — CID 24975698

IUPAC(6Z)-9-methoxy-2,3,4,5,8,9-hexahydro-1H-azecin-10-one
SMILESCOC1C/C=C\CCCCNC1=O
InChIInChI=1S/C10H17NO2/c1-13-9-7-5-3-2-4-6-8-11-10(9)12/h3,5,9H,2,4,6-8H2,1H3,(H,11,12)/b5-3-
InChIKeyAOKKAYIWWANWPG-HYXAFXHYSA-N
MW183.25 g/mol
LogP1.25
Rot. Bonds1

About (6Z)-9-methoxy-2,3,4,5,8,9-hexahydro-1H-azecin-10-one

(6Z)-9-methoxy-2,3,4,5,8,9-hexahydro-1H-azecin-10-one (PubChem CID 24975698) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (6Z)-9-methoxy-2,3,4,5,8,9-hexahydro-1H-azecin-10-one.

Molecular Properties

Compound Name(6Z)-9-methoxy-2,3,4,5,8,9-hexahydro-1H-azecin-10-one
PubChem CID24975698
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(6Z)-9-methoxy-2,3,4,5,8,9-hexahydro-1H-azecin-10-one
SMILESCOC1C/C=C\CCCCNC1=O
InChIInChI=1S/C10H17NO2/c1-13-9-7-5-3-2-4-6-8-11-10(9)12/h3,5,9H,2,4,6-8H2,1H3,(H,11,12)/b5-3-
InChIKeyAOKKAYIWWANWPG-HYXAFXHYSA-N
XLogP1.25
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.25
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

3-Methoxy-1,3,4,7,8,9-hexahydro-2h-azonin-2-one
CID 129826253
N-[(5Z,8Z,11Z,14Z)-icosa-5,8,11,14-tetraenyl]-2-methoxyacetamide
CID 9885294
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
CID 141975351
2-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoxy]-N-propan-2-ylbutanamide
CID 151055579
(Z)-N-[2-(2-aminoethoxy)ethyl]oct-5-enamide
CID 168852504

Frequently Asked Questions

What is the IUPAC name of (6Z)-9-methoxy-2,3,4,5,8,9-hexahydro-1H-azecin-10-one?
The IUPAC name of (6Z)-9-methoxy-2,3,4,5,8,9-hexahydro-1H-azecin-10-one (CID 24975698) is (6Z)-9-methoxy-2,3,4,5,8,9-hexahydro-1H-azecin-10-one.
What is the SMILES notation for (6Z)-9-methoxy-2,3,4,5,8,9-hexahydro-1H-azecin-10-one?
The canonical SMILES for (6Z)-9-methoxy-2,3,4,5,8,9-hexahydro-1H-azecin-10-one is COC1C/C=C\CCCCNC1=O.
What is the InChIKey of (6Z)-9-methoxy-2,3,4,5,8,9-hexahydro-1H-azecin-10-one?
The InChIKey is AOKKAYIWWANWPG-HYXAFXHYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-13-9-7-5-3-2-4-6-8-11-10(9)12/h3,5,9H,2,4,6-8H2,1H3,(H,11,12)/b5-3-.
What are the key properties of (6Z)-9-methoxy-2,3,4,5,8,9-hexahydro-1H-azecin-10-one?
(6Z)-9-methoxy-2,3,4,5,8,9-hexahydro-1H-azecin-10-one has a molecular weight of 183.25 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-9-methoxy-2,3,4,5,8,9-hexahydro-1H-azecin-10-one is sourced from PubChem (CID 24975698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).