1-(2,3-dihydropyrrol-1-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone

C16H27NO2 — CID 23050655

IUPAC1-(2,3-dihydropyrrol-1-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone
SMILESCC1CCC(C(C)C)C(OCC(=O)N2C=CCC2)C1
InChIInChI=1S/C16H27NO2/c1-12(2)14-7-6-13(3)10-15(14)19-11-16(18)17-8-4-5-9-17/h4,8,12-15H,5-7,9-11H2,1-3H3
InChIKeyOSYGBZNLQZVIPR-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.21
Rot. Bonds4

About 1-(2,3-dihydropyrrol-1-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone

1-(2,3-dihydropyrrol-1-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone (PubChem CID 23050655) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(2,3-dihydropyrrol-1-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone.

Molecular Properties

Compound Name1-(2,3-dihydropyrrol-1-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone
PubChem CID23050655
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name1-(2,3-dihydropyrrol-1-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone
SMILESCC1CCC(C(C)C)C(OCC(=O)N2C=CCC2)C1
InChIInChI=1S/C16H27NO2/c1-12(2)14-7-6-13(3)10-15(14)19-11-16(18)17-8-4-5-9-17/h4,8,12-15H,5-7,9-11H2,1-3H3
InChIKeyOSYGBZNLQZVIPR-UHFFFAOYSA-N
XLogP3.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1R,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetamide
CID 68536872
2-[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl chloride
CID 12543931
2-[(1S,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetic acid
CID 25277154
3-methyl-1-[(1R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxybutan-2-one
CID 130410144
2-[(1R,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 7164421
1-[4-(cyclohexanecarbonyl)piperazin-1-yl]-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone
CID 140851992
[(1R,2S)-2-hydroxycyclohexyl] 2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetate
CID 92643363
2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-1-phenylethanone
CID 43798246
1-[4-(3-methylphenyl)piperazin-1-yl]-2-[(1R,2S,5S)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanone
CID 129376940
(2S)-2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetyl]amino]propanoic acid
CID 119943112
butyl 2-(5-methyl-2-propan-2-ylcyclohexyl)oxyacetate
CID 63416740
2-fluoro-6-[4-[2-[(1S,2R,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyacetyl]piperazin-1-yl]benzonitrile
CID 33281652

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrrol-1-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone?
The IUPAC name of 1-(2,3-dihydropyrrol-1-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone (CID 23050655) is 1-(2,3-dihydropyrrol-1-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone.
What is the SMILES notation for 1-(2,3-dihydropyrrol-1-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone?
The canonical SMILES for 1-(2,3-dihydropyrrol-1-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone is CC1CCC(C(C)C)C(OCC(=O)N2C=CCC2)C1.
What is the InChIKey of 1-(2,3-dihydropyrrol-1-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone?
The InChIKey is OSYGBZNLQZVIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-12(2)14-7-6-13(3)10-15(14)19-11-16(18)17-8-4-5-9-17/h4,8,12-15H,5-7,9-11H2,1-3H3.
What are the key properties of 1-(2,3-dihydropyrrol-1-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone?
1-(2,3-dihydropyrrol-1-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone has a molecular weight of 265.40 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrrol-1-yl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanone is sourced from PubChem (CID 23050655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).