2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one

C17H29NO2 — CID 79549060

IUPAC2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1CCCC1CCCO1
InChIInChI=1S/C17H29NO2/c19-17-10-2-1-8-15(17)16-9-4-12-18(16)11-3-6-14-7-5-13-20-14/h14-16H,1-13H2
InChIKeyRYCSDYLVHJNLQQ-UHFFFAOYSA-N
MW279.42 g/mol
LogP3.17
Rot. Bonds5

About 2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one

2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 79549060) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is 2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID79549060
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC Name2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one
SMILESO=C1CCCCC1C1CCCN1CCCC1CCCO1
InChIInChI=1S/C17H29NO2/c19-17-10-2-1-8-15(17)16-9-4-12-18(16)11-3-6-14-7-5-13-20-14/h14-16H,1-13H2
InChIKeyRYCSDYLVHJNLQQ-UHFFFAOYSA-N
XLogP3.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(oxolan-2-yl)ethyl]cyclohexan-1-one
CID 65162914
2-(1-octylpiperidin-2-yl)cyclohexan-1-one
CID 79539887
2-[1-[3-(2-methoxyethoxy)propyl]pyrrolidin-2-yl]cyclohexan-1-one
CID 103409847
methyl 4-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]butanoate
CID 79548843
2-(1-hexylpiperidin-2-yl)cyclopentan-1-one
CID 79545160
3-methyl-1-[3-(oxolan-2-yl)propyl]piperidin-4-one
CID 114500283
2-[1-(4-methylpentyl)piperidin-2-yl]cyclopentan-1-one
CID 83156297
2-[1-(3-methylbut-3-enyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 114472642
2-[1-(4,4,4-trifluorobutyl)piperidin-2-yl]cyclopentan-1-one
CID 115513982
2-[1-(2-pyridin-4-ylethyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79545951
2-[1-[2-(2-methylpyrazol-3-yl)ethyl]piperidin-2-yl]cyclopentan-1-one
CID 103002715
N,N-dimethyl-4-[2-(2-oxocyclohexyl)piperidin-1-yl]butanamide
CID 79541365

Frequently Asked Questions

What is the IUPAC name of 2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one (CID 79549060) is 2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one is O=C1CCCCC1C1CCCN1CCCC1CCCO1.
What is the InChIKey of 2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is RYCSDYLVHJNLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c19-17-10-2-1-8-15(17)16-9-4-12-18(16)11-3-6-14-7-5-13-20-14/h14-16H,1-13H2.
What are the key properties of 2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 279.42 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[3-(oxolan-2-yl)propyl]pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79549060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).