2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone

C15H27NO — CID 106982112

IUPAC2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
SMILESCC(C)C1(C(=O)CC2CCCCC2)CCNC1
InChIInChI=1S/C15H27NO/c1-12(2)15(8-9-16-11-15)14(17)10-13-6-4-3-5-7-13/h12-13,16H,3-11H2,1-2H3
InChIKeyKPZBXQLDCFLJOJ-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.16
Rot. Bonds4

About 2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone

2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone (PubChem CID 106982112) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone.

Molecular Properties

Compound Name2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
PubChem CID106982112
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
SMILESCC(C)C1(C(=O)CC2CCCCC2)CCNC1
InChIInChI=1S/C15H27NO/c1-12(2)15(8-9-16-11-15)14(17)10-13-6-4-3-5-7-13/h12-13,16H,3-11H2,1-2H3
InChIKeyKPZBXQLDCFLJOJ-UHFFFAOYSA-N
XLogP3.16
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclopropyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone
CID 106982172
2-[1-(3-propan-2-ylpyrrolidine-3-carbonyl)piperidin-3-yl]acetic acid
CID 106980595
cyclobutyl-(3-propan-2-ylpyrrolidin-3-yl)methanone
CID 106982353
2-cyclohexyl-1-(4-ethylpiperidin-4-yl)ethanone
CID 116568088
3-methyl-1-(3-propan-2-ylpyrrolidin-3-yl)but-3-en-1-one
CID 106982318
3-(oxolan-2-yl)-1-(3-propan-2-ylpyrrolidin-3-yl)propan-1-one
CID 106982059
2-cyclohexyl-1-[1-(2-methylpropyl)cyclopentyl]ethanone
CID 114967627
N-(3-ethylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980796
1-(3-propan-2-ylpyrrolidin-3-yl)pent-4-en-1-one
CID 106982177
1-(3-propan-2-ylpyrrolidin-3-yl)-2-propoxyethanone
CID 106982213
N-cyclopentyl-3-propan-2-yl-N-prop-2-enylpyrrolidine-3-carboxamide
CID 106980144
2-cyclobutyl-1-(1-methylcyclohexyl)ethanone
CID 106829597

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The IUPAC name of 2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone (CID 106982112) is 2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone.
What is the SMILES notation for 2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The canonical SMILES for 2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone is CC(C)C1(C(=O)CC2CCCCC2)CCNC1.
What is the InChIKey of 2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
The InChIKey is KPZBXQLDCFLJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-12(2)15(8-9-16-11-15)14(17)10-13-6-4-3-5-7-13/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone?
2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone has a molecular weight of 237.39 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3-propan-2-ylpyrrolidin-3-yl)ethanone is sourced from PubChem (CID 106982112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).