2-[1-(2,2-dimethylbutanoyl)pyrrolidin-2-yl]cyclohexan-1-one

C16H27NO2 — CID 79546679

IUPAC2-[1-(2,2-dimethylbutanoyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESCCC(C)(C)C(=O)N1CCCC1C1CCCCC1=O
InChIInChI=1S/C16H27NO2/c1-4-16(2,3)15(19)17-11-7-9-13(17)12-8-5-6-10-14(12)18/h12-13H,4-11H2,1-3H3
InChIKeyVDDKPTUGCZPBSN-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.17
Rot. Bonds3

About 2-[1-(2,2-dimethylbutanoyl)pyrrolidin-2-yl]cyclohexan-1-one

2-[1-(2,2-dimethylbutanoyl)pyrrolidin-2-yl]cyclohexan-1-one (PubChem CID 79546679) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-[1-(2,2-dimethylbutanoyl)pyrrolidin-2-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[1-(2,2-dimethylbutanoyl)pyrrolidin-2-yl]cyclohexan-1-one
PubChem CID79546679
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name2-[1-(2,2-dimethylbutanoyl)pyrrolidin-2-yl]cyclohexan-1-one
SMILESCCC(C)(C)C(=O)N1CCCC1C1CCCCC1=O
InChIInChI=1S/C16H27NO2/c1-4-16(2,3)15(19)17-11-7-9-13(17)12-8-5-6-10-14(12)18/h12-13H,4-11H2,1-3H3
InChIKeyVDDKPTUGCZPBSN-UHFFFAOYSA-N
XLogP3.17
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(2,2,2-trifluoroacetyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546344
2-(2-oxocyclohexyl)-N-propylpyrrolidine-1-carboxamide
CID 79546432
2-[1-(3-cyclopentylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79539486
N-ethyl-N-methyl-2-(2-oxocyclohexyl)piperidine-1-carboxamide
CID 79553640
2-(1-octanoylpyrrolidin-2-yl)cyclohexan-1-one
CID 79539477
N-(2-methylbutan-2-yl)-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide
CID 79536402
2-(1-butanoylpiperidin-2-yl)cyclopentan-1-one
CID 79545289
2-(1-hexanoylpiperidin-2-yl)cyclohexan-1-one
CID 79553408
2-[1-(2-cyclopropylpropanoyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 80710970
2-methylpropyl 2-(2-oxocyclohexyl)pyrrolidine-1-carboxylate
CID 79545937
N-tert-butyl-2-[2-(2-oxocyclohexyl)pyrrolidin-1-yl]acetamide
CID 79548763
2-[1-(2-methylsulfanylacetyl)piperidin-2-yl]cyclopentan-1-one
CID 79544925

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-dimethylbutanoyl)pyrrolidin-2-yl]cyclohexan-1-one?
The IUPAC name of 2-[1-(2,2-dimethylbutanoyl)pyrrolidin-2-yl]cyclohexan-1-one (CID 79546679) is 2-[1-(2,2-dimethylbutanoyl)pyrrolidin-2-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[1-(2,2-dimethylbutanoyl)pyrrolidin-2-yl]cyclohexan-1-one?
The canonical SMILES for 2-[1-(2,2-dimethylbutanoyl)pyrrolidin-2-yl]cyclohexan-1-one is CCC(C)(C)C(=O)N1CCCC1C1CCCCC1=O.
What is the InChIKey of 2-[1-(2,2-dimethylbutanoyl)pyrrolidin-2-yl]cyclohexan-1-one?
The InChIKey is VDDKPTUGCZPBSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-4-16(2,3)15(19)17-11-7-9-13(17)12-8-5-6-10-14(12)18/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-[1-(2,2-dimethylbutanoyl)pyrrolidin-2-yl]cyclohexan-1-one?
2-[1-(2,2-dimethylbutanoyl)pyrrolidin-2-yl]cyclohexan-1-one has a molecular weight of 265.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-dimethylbutanoyl)pyrrolidin-2-yl]cyclohexan-1-one is sourced from PubChem (CID 79546679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).