(7R)-7-ethenyl-1-methoxyazepan-2-one

C9H15NO2 — CID 102485106

IUPAC(7R)-7-ethenyl-1-methoxyazepan-2-one
SMILESC=C[C@H]1CCCCC(=O)N1OC
InChIInChI=1S/C9H15NO2/c1-3-8-6-4-5-7-9(11)10(8)12-2/h3,8H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyLGYGFMSSTBCXHV-QMMMGPOBSA-N
MW169.22 g/mol
LogP1.50
Rot. Bonds2

About (7R)-7-ethenyl-1-methoxyazepan-2-one

(7R)-7-ethenyl-1-methoxyazepan-2-one (PubChem CID 102485106) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is (7R)-7-ethenyl-1-methoxyazepan-2-one.

Molecular Properties

Compound Name(7R)-7-ethenyl-1-methoxyazepan-2-one
PubChem CID102485106
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name(7R)-7-ethenyl-1-methoxyazepan-2-one
SMILESC=C[C@H]1CCCCC(=O)N1OC
InChIInChI=1S/C9H15NO2/c1-3-8-6-4-5-7-9(11)10(8)12-2/h3,8H,1,4-7H2,2H3/t8-/m0/s1
InChIKeyLGYGFMSSTBCXHV-QMMMGPOBSA-N
XLogP1.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(7R)-1-methoxy-7-[(E)-2-tri(propan-2-yl)silylethenyl]azepan-2-one
CID 102485116
1-methoxy-7-[(E)-2-triphenylsilylethenyl]azepan-2-one
CID 134837237
(7S)-7-[(1R)-1-hydroxyethyl]-1-methoxyazepan-2-one
CID 101497218
(7R)-1-methyl-7-prop-2-enylazepan-2-one
CID 59072764
1-methoxyazepane-2,7-dione
CID 134892605
6-bromo-3-ethenyl-2-methoxy-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one
CID 16679916
1-acetyl-5-ethenylpyrrolidin-2-one
CID 19861403
1-(2,2-dimethoxyethyl)azepane-2,7-dione
CID 60976210
(7S)-7-[(1S)-1-hydroxy-2-triphenylsilylethyl]-1-methoxyazepan-2-one
CID 134837238
2-ethenylcyclodecan-1-one
CID 12935863
(4E)-1-methoxy-4-methyl-2-pentyl-2,3,6,7,8,9-hexahydroazecin-10-one
CID 131735803
(1R,4R)-4-ethenyl-11-methyl-5-azatricyclo[8.3.0.01,5]tridec-10-ene-6,12-dione
CID 53343701

Frequently Asked Questions

What is the IUPAC name of (7R)-7-ethenyl-1-methoxyazepan-2-one?
The IUPAC name of (7R)-7-ethenyl-1-methoxyazepan-2-one (CID 102485106) is (7R)-7-ethenyl-1-methoxyazepan-2-one.
What is the SMILES notation for (7R)-7-ethenyl-1-methoxyazepan-2-one?
The canonical SMILES for (7R)-7-ethenyl-1-methoxyazepan-2-one is C=C[C@H]1CCCCC(=O)N1OC.
What is the InChIKey of (7R)-7-ethenyl-1-methoxyazepan-2-one?
The InChIKey is LGYGFMSSTBCXHV-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15NO2/c1-3-8-6-4-5-7-9(11)10(8)12-2/h3,8H,1,4-7H2,2H3/t8-/m0/s1.
What are the key properties of (7R)-7-ethenyl-1-methoxyazepan-2-one?
(7R)-7-ethenyl-1-methoxyazepan-2-one has a molecular weight of 169.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-7-ethenyl-1-methoxyazepan-2-one is sourced from PubChem (CID 102485106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).