3-ethylazepan-2-one;7-ethylazepan-2-one

C16H30N2O2 — CID 161134741

IUPAC3-ethylazepan-2-one;7-ethylazepan-2-one
SMILESCCC1CCCCC(=O)N1.CCC1CCCCNC1=O
InChIInChI=1S/2C8H15NO/c1-2-7-5-3-4-6-9-8(7)10;1-2-7-5-3-4-6-8(10)9-7/h2*7H,2-6H2,1H3,(H,9,10)
InChIKeyUMQJVWGENJKDLO-UHFFFAOYSA-N
MW282.43 g/mol
LogP2.77
Rot. Bonds2

About 3-ethylazepan-2-one;7-ethylazepan-2-one

3-ethylazepan-2-one;7-ethylazepan-2-one (PubChem CID 161134741) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 3-ethylazepan-2-one;7-ethylazepan-2-one.

Molecular Properties

Compound Name3-ethylazepan-2-one;7-ethylazepan-2-one
PubChem CID161134741
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name3-ethylazepan-2-one;7-ethylazepan-2-one
SMILESCCC1CCCCC(=O)N1.CCC1CCCCNC1=O
InChIInChI=1S/2C8H15NO/c1-2-7-5-3-4-6-9-8(7)10;1-2-7-5-3-4-6-8(10)9-7/h2*7H,2-6H2,1H3,(H,9,10)
InChIKeyUMQJVWGENJKDLO-UHFFFAOYSA-N
XLogP2.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(2-ethylbutyl)azepan-2-one;7-(2-ethylbutyl)azepan-2-one
CID 158174254
cis-(3R,10R)-3,11-diethyl-10-hydroxy-azacyclotetradecan-2-one
CID 165353092
azonan-2-one;6-heptylpiperidin-2-one
CID 70430159
2-[(2R)-7-oxoazepan-2-yl]ethylazanium
CID 6936883
3-(2-hydroxy-3-methylbutyl)azepan-2-one
CID 130495542
S-[(2-oxoazepan-3-yl)methyl] ethanethioate
CID 155973947
(3S)-3-(methoxymethyl)piperidin-2-one
CID 54226516
3-prop-2-ynylazepan-2-one
CID 104679576
3-(2,2-difluoroethyl)azepan-2-one
CID 104679699
methyl (2-oxoazepan-3-yl)methyl carbonate
CID 139614843
3-[2-(2-methoxyethoxy)ethyl]azepan-2-one
CID 104679615
3,14-diethyl-1,12-dioxa-4,15-diazacyclodocosane-5,11,16,22-tetrone
CID 10387757

Frequently Asked Questions

What is the IUPAC name of 3-ethylazepan-2-one;7-ethylazepan-2-one?
The IUPAC name of 3-ethylazepan-2-one;7-ethylazepan-2-one (CID 161134741) is 3-ethylazepan-2-one;7-ethylazepan-2-one.
What is the SMILES notation for 3-ethylazepan-2-one;7-ethylazepan-2-one?
The canonical SMILES for 3-ethylazepan-2-one;7-ethylazepan-2-one is CCC1CCCCC(=O)N1.CCC1CCCCNC1=O.
What is the InChIKey of 3-ethylazepan-2-one;7-ethylazepan-2-one?
The InChIKey is UMQJVWGENJKDLO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H15NO/c1-2-7-5-3-4-6-9-8(7)10;1-2-7-5-3-4-6-8(10)9-7/h2*7H,2-6H2,1H3,(H,9,10).
What are the key properties of 3-ethylazepan-2-one;7-ethylazepan-2-one?
3-ethylazepan-2-one;7-ethylazepan-2-one has a molecular weight of 282.43 g/mol, XLogP of 2.77, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylazepan-2-one;7-ethylazepan-2-one is sourced from PubChem (CID 161134741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).