(5E,7S)-7-(hydroxymethyl)-1-methyl-3,4,7,8-tetrahydro-2H-azonin-9-one

C10H17NO2 — CID 10976141

IUPAC(5E,7S)-7-(hydroxymethyl)-1-methyl-3,4,7,8-tetrahydro-2H-azonin-9-one
SMILESCN1CCC/C=C/[C@@H](CO)CC1=O
InChIInChI=1S/C10H17NO2/c1-11-6-4-2-3-5-9(8-12)7-10(11)13/h3,5,9,12H,2,4,6-8H2,1H3/b5-3+/t9-/m1/s1
InChIKeyYQMGOIBTVHZHCM-HYYFJVDXSA-N
MW183.25 g/mol
LogP0.79
Rot. Bonds1

About (5E,7S)-7-(hydroxymethyl)-1-methyl-3,4,7,8-tetrahydro-2H-azonin-9-one

(5E,7S)-7-(hydroxymethyl)-1-methyl-3,4,7,8-tetrahydro-2H-azonin-9-one (PubChem CID 10976141) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is (5E,7S)-7-(hydroxymethyl)-1-methyl-3,4,7,8-tetrahydro-2H-azonin-9-one.

Molecular Properties

Compound Name(5E,7S)-7-(hydroxymethyl)-1-methyl-3,4,7,8-tetrahydro-2H-azonin-9-one
PubChem CID10976141
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name(5E,7S)-7-(hydroxymethyl)-1-methyl-3,4,7,8-tetrahydro-2H-azonin-9-one
SMILESCN1CCC/C=C/[C@@H](CO)CC1=O
InChIInChI=1S/C10H17NO2/c1-11-6-4-2-3-5-9(8-12)7-10(11)13/h3,5,9,12H,2,4,6-8H2,1H3/b5-3+/t9-/m1/s1
InChIKeyYQMGOIBTVHZHCM-HYYFJVDXSA-N
XLogP0.79
TPSA40.54 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 ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5E,7S)-7-(hydroxymethyl)-1-methyl-3,4,7,8-tetrahydro-2H-azonin-9-one?
The IUPAC name of (5E,7S)-7-(hydroxymethyl)-1-methyl-3,4,7,8-tetrahydro-2H-azonin-9-one (CID 10976141) is (5E,7S)-7-(hydroxymethyl)-1-methyl-3,4,7,8-tetrahydro-2H-azonin-9-one.
What is the SMILES notation for (5E,7S)-7-(hydroxymethyl)-1-methyl-3,4,7,8-tetrahydro-2H-azonin-9-one?
The canonical SMILES for (5E,7S)-7-(hydroxymethyl)-1-methyl-3,4,7,8-tetrahydro-2H-azonin-9-one is CN1CCC/C=C/[C@@H](CO)CC1=O.
What is the InChIKey of (5E,7S)-7-(hydroxymethyl)-1-methyl-3,4,7,8-tetrahydro-2H-azonin-9-one?
The InChIKey is YQMGOIBTVHZHCM-HYYFJVDXSA-N. The full InChI is InChI=1S/C10H17NO2/c1-11-6-4-2-3-5-9(8-12)7-10(11)13/h3,5,9,12H,2,4,6-8H2,1H3/b5-3+/t9-/m1/s1.
What are the key properties of (5E,7S)-7-(hydroxymethyl)-1-methyl-3,4,7,8-tetrahydro-2H-azonin-9-one?
(5E,7S)-7-(hydroxymethyl)-1-methyl-3,4,7,8-tetrahydro-2H-azonin-9-one has a molecular weight of 183.25 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7S)-7-(hydroxymethyl)-1-methyl-3,4,7,8-tetrahydro-2H-azonin-9-one is sourced from PubChem (CID 10976141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).