1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexyl]ethanone

C16H29NO2 — CID 170366511

IUPAC1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexyl]ethanone
SMILESCC(=O)C1CCCCC1OC[C@@H]1CCCN1C(C)C
InChIInChI=1S/C16H29NO2/c1-12(2)17-10-6-7-14(17)11-19-16-9-5-4-8-15(16)13(3)18/h12,14-16H,4-11H2,1-3H3/t14-,15?,16?/m0/s1
InChIKeyWQIHZIVTQAAHKX-FHERZECASA-N
MW267.41 g/mol
LogP3.02
Rot. Bonds5

About 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexyl]ethanone

1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexyl]ethanone (PubChem CID 170366511) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexyl]ethanone.

Molecular Properties

Compound Name1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexyl]ethanone
PubChem CID170366511
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexyl]ethanone
SMILESCC(=O)C1CCCCC1OC[C@@H]1CCCN1C(C)C
InChIInChI=1S/C16H29NO2/c1-12(2)17-10-6-7-14(17)11-19-16-9-5-4-8-15(16)13(3)18/h12,14-16H,4-11H2,1-3H3/t14-,15?,16?/m0/s1
InChIKeyWQIHZIVTQAAHKX-FHERZECASA-N
XLogP3.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(6-methyl-3,4,4a,5,7,7a-hexahydro-2H-pyrano[2,3-c]pyrrol-7-yl)ethanone
CID 58850042
(2S)-1-methyl-2-[(2R,3R)-3-methyloxolan-2-yl]-azacyclotridecan-3-one
CID 59084186
(5S)-1-[(2S)-2-[(1R)-1-methoxy-3-oxobutyl]pyrrolidin-1-yl]-5-methylheptan-1-one
CID 165140880
4-[[(2S,4S)-4-cyclohexyl-1-propan-2-ylpyrrolidin-2-yl]methoxy]butan-2-one
CID 170366450
1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclopentyl]ethanone
CID 170366512
2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid
CID 170367947
2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexane-1-carboxylic acid
CID 174164523
2-[1-(Oxan-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79545870
2-[1-[2-(3-Methylbutoxy)ethyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 79546441
2-[1-(Oxolan-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79547022
2-[1-(2-Butoxyethyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79549128
4-[Methyl(1-oxaspiro[4.5]decan-2-ylmethyl)amino]cyclohexan-1-one
CID 102898104

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexyl]ethanone?
The IUPAC name of 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexyl]ethanone (CID 170366511) is 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexyl]ethanone.
What is the SMILES notation for 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexyl]ethanone?
The canonical SMILES for 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexyl]ethanone is CC(=O)C1CCCCC1OC[C@@H]1CCCN1C(C)C.
What is the InChIKey of 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexyl]ethanone?
The InChIKey is WQIHZIVTQAAHKX-FHERZECASA-N. The full InChI is InChI=1S/C16H29NO2/c1-12(2)17-10-6-7-14(17)11-19-16-9-5-4-8-15(16)13(3)18/h12,14-16H,4-11H2,1-3H3/t14-,15?,16?/m0/s1.
What are the key properties of 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexyl]ethanone?
1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexyl]ethanone has a molecular weight of 267.41 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexyl]ethanone is sourced from PubChem (CID 170366511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).