3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one

C13H23NO — CID 5156755

IUPAC3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCC1CCCCC1)N1CCCC1
InChIInChI=1S/C13H23NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h12H,1-11H2
InChIKeyXBJWHVSUJLMGPK-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.97
Rot. Bonds3

About 3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one

3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 5156755) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one
PubChem CID5156755
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCC1CCCCC1)N1CCCC1
InChIInChI=1S/C13H23NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h12H,1-11H2
InChIKeyXBJWHVSUJLMGPK-UHFFFAOYSA-N
XLogP2.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one (CID 5156755) is 3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one is O=C(CCC1CCCCC1)N1CCCC1.
What is the InChIKey of 3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is XBJWHVSUJLMGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c15-13(14-10-4-5-11-14)9-8-12-6-2-1-3-7-12/h12H,1-11H2.
What are the key properties of 3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one?
3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 5156755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).