2-ethylazepan-4-one

C8H15NO — CID 70067694

IUPAC2-ethylazepan-4-one
SMILESCCC1CC(=O)CCCN1
InChIInChI=1S/C8H15NO/c1-2-7-6-8(10)4-3-5-9-7/h7,9H,2-6H2,1H3
InChIKeyQMPFLOVBFFSMBR-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.11
Rot. Bonds1

About 2-ethylazepan-4-one

2-ethylazepan-4-one (PubChem CID 70067694) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-ethylazepan-4-one.

Molecular Properties

Compound Name2-ethylazepan-4-one
PubChem CID70067694
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-ethylazepan-4-one
SMILESCCC1CC(=O)CCCN1
InChIInChI=1S/C8H15NO/c1-2-7-6-8(10)4-3-5-9-7/h7,9H,2-6H2,1H3
InChIKeyQMPFLOVBFFSMBR-UHFFFAOYSA-N
XLogP1.11
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methylazepan-4-one;hydrochloride
CID 164872779
(9Z)-15-propyl-1-azacyclopentadec-9-en-5-one
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2-ethyl-4-methylidenepiperidine
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2-ethylpiperidin-3-one
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2-(methoxymethyl)piperidin-4-one
CID 82651344
6-ethyl-1,3-diazinan-4-one
CID 71303953
2-ethylpiperidine;hydrobromide
CID 131717239
(2R)-2-ethyl-4-methyl-1,4-diazepan-5-one
CID 58093300
3-ethylcyclononan-1-one
CID 70178778
ethane;(2R)-2-ethylpyrrolidine;molecular hydrogen;hydrofluoride
CID 178147337
4-ethyl-1-(1,2,3,4-tetrahydronaphthalen-1-yl)-1,5-diazocane
CID 62316210
(5S)-5-ethyl-3,4,5,6,7,8-hexahydroimidazo[4,5-d]azepine
CID 126493730

Frequently Asked Questions

What is the IUPAC name of 2-ethylazepan-4-one?
The IUPAC name of 2-ethylazepan-4-one (CID 70067694) is 2-ethylazepan-4-one.
What is the SMILES notation for 2-ethylazepan-4-one?
The canonical SMILES for 2-ethylazepan-4-one is CCC1CC(=O)CCCN1.
What is the InChIKey of 2-ethylazepan-4-one?
The InChIKey is QMPFLOVBFFSMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-7-6-8(10)4-3-5-9-7/h7,9H,2-6H2,1H3.
What are the key properties of 2-ethylazepan-4-one?
2-ethylazepan-4-one has a molecular weight of 141.21 g/mol, XLogP of 1.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylazepan-4-one is sourced from PubChem (CID 70067694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).