1-(1-pyrrolidin-1-ylcyclohexyl)ethanone

C12H21NO — CID 23531867

IUPAC1-(1-pyrrolidin-1-ylcyclohexyl)ethanone
SMILESCC(=O)C1(N2CCCC2)CCCCC1
InChIInChI=1S/C12H21NO/c1-11(14)12(7-3-2-4-8-12)13-9-5-6-10-13/h2-10H2,1H3
InChIKeyXZVRGRSTJLEFSE-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.37
Rot. Bonds2

About 1-(1-pyrrolidin-1-ylcyclohexyl)ethanone

1-(1-pyrrolidin-1-ylcyclohexyl)ethanone (PubChem CID 23531867) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(1-pyrrolidin-1-ylcyclohexyl)ethanone.

Molecular Properties

Compound Name1-(1-pyrrolidin-1-ylcyclohexyl)ethanone
PubChem CID23531867
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(1-pyrrolidin-1-ylcyclohexyl)ethanone
SMILESCC(=O)C1(N2CCCC2)CCCCC1
InChIInChI=1S/C12H21NO/c1-11(14)12(7-3-2-4-8-12)13-9-5-6-10-13/h2-10H2,1H3
InChIKeyXZVRGRSTJLEFSE-UHFFFAOYSA-N
XLogP2.37
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-pyrrolidin-1-ylcyclohexyl)ethanone?
The IUPAC name of 1-(1-pyrrolidin-1-ylcyclohexyl)ethanone (CID 23531867) is 1-(1-pyrrolidin-1-ylcyclohexyl)ethanone.
What is the SMILES notation for 1-(1-pyrrolidin-1-ylcyclohexyl)ethanone?
The canonical SMILES for 1-(1-pyrrolidin-1-ylcyclohexyl)ethanone is CC(=O)C1(N2CCCC2)CCCCC1.
What is the InChIKey of 1-(1-pyrrolidin-1-ylcyclohexyl)ethanone?
The InChIKey is XZVRGRSTJLEFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-11(14)12(7-3-2-4-8-12)13-9-5-6-10-13/h2-10H2,1H3.
What are the key properties of 1-(1-pyrrolidin-1-ylcyclohexyl)ethanone?
1-(1-pyrrolidin-1-ylcyclohexyl)ethanone has a molecular weight of 195.31 g/mol, XLogP of 2.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-pyrrolidin-1-ylcyclohexyl)ethanone is sourced from PubChem (CID 23531867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).