2-(3-methylcyclohexyl)oxy-1-(1-methylpyrrol-2-yl)ethanone

C14H21NO2 — CID 43800873

IUPAC2-(3-methylcyclohexyl)oxy-1-(1-methylpyrrol-2-yl)ethanone
SMILESCC1CCCC(OCC(=O)c2cccn2C)C1
InChIInChI=1S/C14H21NO2/c1-11-5-3-6-12(9-11)17-10-14(16)13-7-4-8-15(13)2/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3
InChIKeyZVQUYXXZHHACQZ-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.80
Rot. Bonds4

About 2-(3-methylcyclohexyl)oxy-1-(1-methylpyrrol-2-yl)ethanone

2-(3-methylcyclohexyl)oxy-1-(1-methylpyrrol-2-yl)ethanone (PubChem CID 43800873) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(3-methylcyclohexyl)oxy-1-(1-methylpyrrol-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylcyclohexyl)oxy-1-(1-methylpyrrol-2-yl)ethanone
PubChem CID43800873
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(3-methylcyclohexyl)oxy-1-(1-methylpyrrol-2-yl)ethanone
SMILESCC1CCCC(OCC(=O)c2cccn2C)C1
InChIInChI=1S/C14H21NO2/c1-11-5-3-6-12(9-11)17-10-14(16)13-7-4-8-15(13)2/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3
InChIKeyZVQUYXXZHHACQZ-UHFFFAOYSA-N
XLogP2.80
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-2-yl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800878
1-(3-fluorophenyl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800886
2-(3-methylcyclohexyl)oxy-1-(4-methylsulfanylphenyl)ethanone
CID 43800934
1-(3-methoxyphenyl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800872
2-cyclopropyl-1-(1-methylpyrrol-2-yl)ethanone
CID 152565416
1-(1,3-benzodioxol-5-yl)-2-(3-methylcyclohexyl)oxyethanone
CID 43800920
1-(2-fluorophenyl)-3-(3-methylcyclohexyl)oxypropan-2-one
CID 43800867
2-[3-[[2-[(1S,3R)-3-methylcyclohexyl]oxyacetyl]amino]pyrazol-1-yl]acetic acid
CID 124570069
1-(1-methylpyrrol-2-yl)-2-propan-2-yloxyethanone
CID 43798789
1-cyclohexyl-2-(3-methylcyclohexyl)oxyethanone
CID 104751838
2-(2,2-difluoroethoxy)-1-(1-methylpyrrol-2-yl)ethanone
CID 82006913
N-(3-amino-2-methylphenyl)-2-(3-methylcyclohexyl)oxyacetamide
CID 43127290

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylcyclohexyl)oxy-1-(1-methylpyrrol-2-yl)ethanone?
The IUPAC name of 2-(3-methylcyclohexyl)oxy-1-(1-methylpyrrol-2-yl)ethanone (CID 43800873) is 2-(3-methylcyclohexyl)oxy-1-(1-methylpyrrol-2-yl)ethanone.
What is the SMILES notation for 2-(3-methylcyclohexyl)oxy-1-(1-methylpyrrol-2-yl)ethanone?
The canonical SMILES for 2-(3-methylcyclohexyl)oxy-1-(1-methylpyrrol-2-yl)ethanone is CC1CCCC(OCC(=O)c2cccn2C)C1.
What is the InChIKey of 2-(3-methylcyclohexyl)oxy-1-(1-methylpyrrol-2-yl)ethanone?
The InChIKey is ZVQUYXXZHHACQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11-5-3-6-12(9-11)17-10-14(16)13-7-4-8-15(13)2/h4,7-8,11-12H,3,5-6,9-10H2,1-2H3.
What are the key properties of 2-(3-methylcyclohexyl)oxy-1-(1-methylpyrrol-2-yl)ethanone?
2-(3-methylcyclohexyl)oxy-1-(1-methylpyrrol-2-yl)ethanone has a molecular weight of 235.33 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylcyclohexyl)oxy-1-(1-methylpyrrol-2-yl)ethanone is sourced from PubChem (CID 43800873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).