2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone

C15H24N2O — CID 112692580

IUPAC2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCCC1CCCCCN1CC(=O)c1cccn1C
InChIInChI=1S/C15H24N2O/c1-3-13-8-5-4-6-11-17(13)12-15(18)14-9-7-10-16(14)2/h7,9-10,13H,3-6,8,11-12H2,1-2H3
InChIKeyPCKIKBVOBIBGPY-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.86
Rot. Bonds4

About 2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone

2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 112692580) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID112692580
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone
SMILESCCC1CCCCCN1CC(=O)c1cccn1C
InChIInChI=1S/C15H24N2O/c1-3-13-8-5-4-6-11-17(13)12-15(18)14-9-7-10-16(14)2/h7,9-10,13H,3-6,8,11-12H2,1-2H3
InChIKeyPCKIKBVOBIBGPY-UHFFFAOYSA-N
XLogP2.86
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-ethylazepan-1-yl)-1-phenylethanone
CID 104690677
1-(2-chlorophenyl)-2-(2-ethylpiperidin-1-yl)ethanone
CID 3325837
1-(1-methylpyrrol-2-yl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanone
CID 61242976
2-(2-ethylazepan-1-yl)-1-(4-propylphenyl)ethanone
CID 104690736
1-(2-ethylazepan-1-yl)-3-phenylpropan-2-one
CID 113441826
1-(5-chlorothiophen-2-yl)-2-(2-ethylazepan-1-yl)ethanone
CID 104690747
4-(2-ethylazepan-1-yl)-3-methylbut-2-enoic acid
CID 104690512
3-cyclohexyl-1-(1-methylpyrrol-2-yl)propan-1-one
CID 163213475
2-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 51675918
2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-1-(1-methylpyrrol-2-yl)ethanone
CID 129428064
2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone
CID 115642542
1-(2-ethylazepan-1-yl)butan-2-one
CID 104690718

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone (CID 112692580) is 2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone is CCC1CCCCCN1CC(=O)c1cccn1C.
What is the InChIKey of 2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is PCKIKBVOBIBGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-3-13-8-5-4-6-11-17(13)12-15(18)14-9-7-10-16(14)2/h7,9-10,13H,3-6,8,11-12H2,1-2H3.
What are the key properties of 2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone?
2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 248.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylazepan-1-yl)-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 112692580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).