cyclohexyl(pyrrolidin-3-yl)methanone

C11H19NO — CID 67293925

IUPACcyclohexyl(pyrrolidin-3-yl)methanone
SMILESO=C(C1CCCCC1)C1CCNC1
InChIInChI=1S/C11H19NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h9-10,12H,1-8H2
InChIKeyJNFCXCHDJXAIBB-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.75
Rot. Bonds2

About cyclohexyl(pyrrolidin-3-yl)methanone

cyclohexyl(pyrrolidin-3-yl)methanone (PubChem CID 67293925) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is cyclohexyl(pyrrolidin-3-yl)methanone.

Molecular Properties

Compound Namecyclohexyl(pyrrolidin-3-yl)methanone
PubChem CID67293925
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Namecyclohexyl(pyrrolidin-3-yl)methanone
SMILESO=C(C1CCCCC1)C1CCNC1
InChIInChI=1S/C11H19NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h9-10,12H,1-8H2
InChIKeyJNFCXCHDJXAIBB-UHFFFAOYSA-N
XLogP1.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl(pyrrolidin-3-yl)methanone?
The IUPAC name of cyclohexyl(pyrrolidin-3-yl)methanone (CID 67293925) is cyclohexyl(pyrrolidin-3-yl)methanone.
What is the SMILES notation for cyclohexyl(pyrrolidin-3-yl)methanone?
The canonical SMILES for cyclohexyl(pyrrolidin-3-yl)methanone is O=C(C1CCCCC1)C1CCNC1.
What is the InChIKey of cyclohexyl(pyrrolidin-3-yl)methanone?
The InChIKey is JNFCXCHDJXAIBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c13-11(10-6-7-12-8-10)9-4-2-1-3-5-9/h9-10,12H,1-8H2.
What are the key properties of cyclohexyl(pyrrolidin-3-yl)methanone?
cyclohexyl(pyrrolidin-3-yl)methanone has a molecular weight of 181.28 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl(pyrrolidin-3-yl)methanone is sourced from PubChem (CID 67293925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).