(5R)-5-hydroxy-5-methoxy-1H-azepin-4-one

C7H9NO3 — CID 135033086

IUPAC(5R)-5-hydroxy-5-methoxy-1H-azepin-4-one
SMILESCO[C@]1(O)C=CNC=CC1=O
InChIInChI=1S/C7H9NO3/c1-11-7(10)3-5-8-4-2-6(7)9/h2-5,8,10H,1H3/t7-/m1/s1
InChIKeyYKMHESKYLSVIBX-SSDOTTSWSA-N
MW155.15 g/mol
LogP-0.48
Rot. Bonds1

About (5R)-5-hydroxy-5-methoxy-1H-azepin-4-one

(5R)-5-hydroxy-5-methoxy-1H-azepin-4-one (PubChem CID 135033086) has the molecular formula C7H9NO3 and a molecular weight of 155.15 g/mol. Its IUPAC name is (5R)-5-hydroxy-5-methoxy-1H-azepin-4-one.

Molecular Properties

Compound Name(5R)-5-hydroxy-5-methoxy-1H-azepin-4-one
PubChem CID135033086
Molecular FormulaC7H9NO3
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Name(5R)-5-hydroxy-5-methoxy-1H-azepin-4-one
SMILESCO[C@]1(O)C=CNC=CC1=O
InChIInChI=1S/C7H9NO3/c1-11-7(10)3-5-8-4-2-6(7)9/h2-5,8,10H,1H3/t7-/m1/s1
InChIKeyYKMHESKYLSVIBX-SSDOTTSWSA-N
XLogP-0.48
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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CID 71399305
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CID 130031634
1,6-dihydroxy-6-methoxytricyclo[6.2.2.02,7]dodeca-2(7),4-dien-3-one
CID 5314640
1-methoxyinden-1-ol
CID 22755553
(2R)-2-methoxy-5-oxo-1H-pyrrole-2-carboxamide
CID 163107549
4-methoxy-4-methylcyclohexa-2,5-dien-1-one
CID 687255
5-hydroxy-5-methoxy-1,3-diazinane-2,4,6-trione
CID 119096804
(2S)-2-hydroxy-2-methoxy-1H-pyridine-4-carbaldehyde
CID 129020941
6-hydroxy-6-phenoxycyclohexa-2,4-dien-1-one
CID 141071783
(1R,5S)-1-methoxybicyclo[3.2.0]hepta-3,6-dien-2-one
CID 12936375
2-(hydroxymethyl)-6-methoxy-6-methylpyridin-3-one
CID 155932656
dimethyl 2-hydroxy-1H-pyridine-2,5-dicarboxylate
CID 70373888

Frequently Asked Questions

What is the IUPAC name of (5R)-5-hydroxy-5-methoxy-1H-azepin-4-one?
The IUPAC name of (5R)-5-hydroxy-5-methoxy-1H-azepin-4-one (CID 135033086) is (5R)-5-hydroxy-5-methoxy-1H-azepin-4-one.
What is the SMILES notation for (5R)-5-hydroxy-5-methoxy-1H-azepin-4-one?
The canonical SMILES for (5R)-5-hydroxy-5-methoxy-1H-azepin-4-one is CO[C@]1(O)C=CNC=CC1=O.
What is the InChIKey of (5R)-5-hydroxy-5-methoxy-1H-azepin-4-one?
The InChIKey is YKMHESKYLSVIBX-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H9NO3/c1-11-7(10)3-5-8-4-2-6(7)9/h2-5,8,10H,1H3/t7-/m1/s1.
What are the key properties of (5R)-5-hydroxy-5-methoxy-1H-azepin-4-one?
(5R)-5-hydroxy-5-methoxy-1H-azepin-4-one has a molecular weight of 155.15 g/mol, XLogP of -0.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-hydroxy-5-methoxy-1H-azepin-4-one is sourced from PubChem (CID 135033086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).