2-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one

C16H27NO2 — CID 116521879

IUPAC2-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESCC1(C)CCC(CN2CCCC2C2CCCC2=O)O1
InChIInChI=1S/C16H27NO2/c1-16(2)9-8-12(19-16)11-17-10-4-6-14(17)13-5-3-7-15(13)18/h12-14H,3-11H2,1-2H3
InChIKeyMYYIZWLAWCHUHH-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.78
Rot. Bonds3

About 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one

2-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one (PubChem CID 116521879) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
PubChem CID116521879
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one
SMILESCC1(C)CCC(CN2CCCC2C2CCCC2=O)O1
InChIInChI=1S/C16H27NO2/c1-16(2)9-8-12(19-16)11-17-10-4-6-14(17)13-5-3-7-15(13)18/h12-14H,3-11H2,1-2H3
InChIKeyMYYIZWLAWCHUHH-UHFFFAOYSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one with MolForge

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Related Compounds

tert-butyl (2S)-2-cyclopentyl-2-[(2R)-2-[(2S)-oxolan-2-yl]pyrrolidin-1-yl]acetate
CID 178086712
2-Cyclopentyl-2-[2-(oxolan-2-yl)pyrrolidin-1-yl]acetaldehyde;2-methoxy-2-methylpropane
CID 178087243
trans-(2S,3S)-3-ethyl-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one
CID 10421745
trans-(2S,3S)-3-butyl-2-[[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methyl]cyclopentan-1-one
CID 10445712
2-[[Ethyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-one
CID 62613039
2-[[Methyl(oxolan-2-ylmethyl)amino]methyl]cyclopentan-1-one
CID 62613214
2-[1-(2-Ethoxyethyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79543479
2-[1-(1-Methoxypropan-2-yl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79543642
2-[1-(2-Butoxyethyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79543727
2-[1-(2-Methoxyethyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79543791
2-[1-[2-(3-Methylbutoxy)ethyl]pyrrolidin-2-yl]cyclopentan-1-one
CID 79544096
2-[1-(Oxolan-2-ylmethyl)pyrrolidin-2-yl]cyclopentan-1-one
CID 79544099

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one?
The IUPAC name of 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one (CID 116521879) is 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one?
The canonical SMILES for 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one is CC1(C)CCC(CN2CCCC2C2CCCC2=O)O1.
What is the InChIKey of 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one?
The InChIKey is MYYIZWLAWCHUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-16(2)9-8-12(19-16)11-17-10-4-6-14(17)13-5-3-7-15(13)18/h12-14H,3-11H2,1-2H3.
What are the key properties of 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one?
2-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one has a molecular weight of 265.40 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5,5-dimethyloxolan-2-yl)methyl]pyrrolidin-2-yl]cyclopentan-1-one is sourced from PubChem (CID 116521879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).