1-methoxyazepane-2,7-dione

C7H11NO3 — CID 134892605

IUPAC1-methoxyazepane-2,7-dione
SMILESCON1C(=O)CCCCC1=O
InChIInChI=1S/C7H11NO3/c1-11-8-6(9)4-2-3-5-7(8)10/h2-5H2,1H3
InChIKeyVISQMLYXHNEXCE-UHFFFAOYSA-N
MW157.17 g/mol
LogP0.48
Rot. Bonds1

About 1-methoxyazepane-2,7-dione

1-methoxyazepane-2,7-dione (PubChem CID 134892605) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is 1-methoxyazepane-2,7-dione.

Molecular Properties

Compound Name1-methoxyazepane-2,7-dione
PubChem CID134892605
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name1-methoxyazepane-2,7-dione
SMILESCON1C(=O)CCCCC1=O
InChIInChI=1S/C7H11NO3/c1-11-8-6(9)4-2-3-5-7(8)10/h2-5H2,1H3
InChIKeyVISQMLYXHNEXCE-UHFFFAOYSA-N
XLogP0.48
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-dimethoxyethyl)azepane-2,7-dione
CID 60976210
3-hydroxy-1-methoxypiperidine-2,6-dione
CID 167136496
(7R)-7-ethenyl-1-methoxyazepan-2-one
CID 102485106
3-methanidyl-1-methoxypyrrolidine-2,5-dione
CID 90919377
(7S)-7-[(1R)-1-hydroxyethyl]-1-methoxyazepan-2-one
CID 101497218
CID 174856842
CID 174856842
1-(dimethoxymethylsilyl)piperidin-2-one
CID 71324961
4,10-dimethyl-1,4,7,10-tetrazabicyclo[5.5.5]heptadecane-13,17-dione
CID 10424666
1-(2-oxopiperidine-1-carbonyl)piperidin-2-one
CID 18425054
1-(2-methoxyethylperoxy)pyrrolidine-2,5-dione
CID 154979386
1-(3-methoxypropoxy)pyrrolidine-2,5-dione
CID 59274176
methyl (3S,11aS)-5-oxo-1,2,3,6,7,8,9,10,11,11a-decahydropyrrolo[1,2-a]azonine-3-carboxylate
CID 168982403

Frequently Asked Questions

What is the IUPAC name of 1-methoxyazepane-2,7-dione?
The IUPAC name of 1-methoxyazepane-2,7-dione (CID 134892605) is 1-methoxyazepane-2,7-dione.
What is the SMILES notation for 1-methoxyazepane-2,7-dione?
The canonical SMILES for 1-methoxyazepane-2,7-dione is CON1C(=O)CCCCC1=O.
What is the InChIKey of 1-methoxyazepane-2,7-dione?
The InChIKey is VISQMLYXHNEXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO3/c1-11-8-6(9)4-2-3-5-7(8)10/h2-5H2,1H3.
What are the key properties of 1-methoxyazepane-2,7-dione?
1-methoxyazepane-2,7-dione has a molecular weight of 157.17 g/mol, XLogP of 0.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxyazepane-2,7-dione is sourced from PubChem (CID 134892605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).