6-ethoxy-1,2,3,4-tetrahydroazepin-7-one

C8H13NO2 — CID 130010189

IUPAC6-ethoxy-1,2,3,4-tetrahydroazepin-7-one
SMILESCCOC1=CCCCNC1=O
InChIInChI=1S/C8H13NO2/c1-2-11-7-5-3-4-6-9-8(7)10/h5H,2-4,6H2,1H3,(H,9,10)
InChIKeyDJCUVXAQJJXWBV-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.82
Rot. Bonds2

About 6-ethoxy-1,2,3,4-tetrahydroazepin-7-one

6-ethoxy-1,2,3,4-tetrahydroazepin-7-one (PubChem CID 130010189) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 6-ethoxy-1,2,3,4-tetrahydroazepin-7-one.

Molecular Properties

Compound Name6-ethoxy-1,2,3,4-tetrahydroazepin-7-one
PubChem CID130010189
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name6-ethoxy-1,2,3,4-tetrahydroazepin-7-one
SMILESCCOC1=CCCCNC1=O
InChIInChI=1S/C8H13NO2/c1-2-11-7-5-3-4-6-9-8(7)10/h5H,2-4,6H2,1H3,(H,9,10)
InChIKeyDJCUVXAQJJXWBV-UHFFFAOYSA-N
XLogP0.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-Methyl-3-ethoxy-5,6-dihydro-2-pyridinol
CID 134612800
N-(2-fluoroethyl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 127017391
N-(1-fluoropropan-2-yl)-3,4-dihydro-2H-pyran-6-carboxamide
CID 130708560
N-(2-fluoroethyl)-2,3-dihydrofuran-5-carboxamide
CID 130723672
6-methoxy-1-methyl-3,4-dihydro-2H-azepin-7-one
CID 19881568
N-(2-oxobutyl)-2,3-dihydrofuran-5-carboxamide
CID 89020241
3-butoxy-N-butyl-6-methyl-4-oxopyran-2-carboxamide
CID 89390543
N-ethyl-2-methyl-2H-oxete-4-carboxamide
CID 91411197
N-ethyl-2-methyl-2,3-dihydrofuran-5-carboxamide
CID 164015740
N-[2-(methylamino)ethyl]-2,3-dihydrofuran-5-carboxamide
CID 164089218
4-oxo-N-propan-2-ylpyran-2-carboxamide
CID 171049178
5-methoxy-2,3-dihydro-1H-pyridin-6-one
CID 14991076

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1,2,3,4-tetrahydroazepin-7-one?
The IUPAC name of 6-ethoxy-1,2,3,4-tetrahydroazepin-7-one (CID 130010189) is 6-ethoxy-1,2,3,4-tetrahydroazepin-7-one.
What is the SMILES notation for 6-ethoxy-1,2,3,4-tetrahydroazepin-7-one?
The canonical SMILES for 6-ethoxy-1,2,3,4-tetrahydroazepin-7-one is CCOC1=CCCCNC1=O.
What is the InChIKey of 6-ethoxy-1,2,3,4-tetrahydroazepin-7-one?
The InChIKey is DJCUVXAQJJXWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-2-11-7-5-3-4-6-9-8(7)10/h5H,2-4,6H2,1H3,(H,9,10).
What are the key properties of 6-ethoxy-1,2,3,4-tetrahydroazepin-7-one?
6-ethoxy-1,2,3,4-tetrahydroazepin-7-one has a molecular weight of 155.20 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1,2,3,4-tetrahydroazepin-7-one is sourced from PubChem (CID 130010189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).