2-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one

C15H25NO2 — CID 79547022

IUPAC2-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1CC1CCCO1
InChIInChI=1S/C15H25NO2/c17-15-8-2-1-6-13(15)14-7-3-9-16(14)11-12-5-4-10-18-12/h12-14H,1-11H2
InChIKeyIFYFEWZYVMBENJ-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.39
Rot. Bonds3

About 2-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one

2-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 79547022) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID79547022
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name2-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1CC1CCCO1
InChIInChI=1S/C15H25NO2/c17-15-8-2-1-6-13(15)14-7-3-9-16(14)11-12-5-4-10-18-12/h12-14H,1-11H2
InChIKeyIFYFEWZYVMBENJ-UHFFFAOYSA-N
XLogP2.39
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[[(2S)-1-propan-2-ylpyrrolidin-2-yl]methoxy]cyclohexyl]ethanone
CID 170366511
trans-(2S,3S)-3-ethyl-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one
CID 10421745
2-[[Ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 55093531
2-[[Methyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one
CID 55094261
2-[[Ethyl(oxolan-2-ylmethyl)amino]methyl]-4-methylcyclohexan-1-one
CID 62612876
4-Ethyl-2-[[ethyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62612877
2-[[Ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propylcyclohexan-1-one
CID 62612878
4-Methyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62613043
4-Ethyl-2-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62613044
2-[[Methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-one
CID 62616861
2-[[Ethyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62707744
2-[[Methyl(oxolan-2-ylmethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-one
CID 62708667

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one (CID 79547022) is 2-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCN1CC1CCCO1.
What is the InChIKey of 2-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is IFYFEWZYVMBENJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c17-15-8-2-1-6-13(15)14-7-3-9-16(14)11-12-5-4-10-18-12/h12-14H,1-11H2.
What are the key properties of 2-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 251.37 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-2-ylmethyl)pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79547022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).