cyclohexyl-(3-ethylpyrrolidin-3-yl)methanone

C13H23NO — CID 116570196

IUPACcyclohexyl-(3-ethylpyrrolidin-3-yl)methanone
SMILESCCC1(C(=O)C2CCCCC2)CCNC1
InChIInChI=1S/C13H23NO/c1-2-13(8-9-14-10-13)12(15)11-6-4-3-5-7-11/h11,14H,2-10H2,1H3
InChIKeyMEWQMBXVKPDZEC-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.53
Rot. Bonds3

About cyclohexyl-(3-ethylpyrrolidin-3-yl)methanone

cyclohexyl-(3-ethylpyrrolidin-3-yl)methanone (PubChem CID 116570196) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is cyclohexyl-(3-ethylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Namecyclohexyl-(3-ethylpyrrolidin-3-yl)methanone
PubChem CID116570196
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Namecyclohexyl-(3-ethylpyrrolidin-3-yl)methanone
SMILESCCC1(C(=O)C2CCCCC2)CCNC1
InChIInChI=1S/C13H23NO/c1-2-13(8-9-14-10-13)12(15)11-6-4-3-5-7-11/h11,14H,2-10H2,1H3
InChIKeyMEWQMBXVKPDZEC-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(3-ethylpyrrolidin-3-yl)methanone?
The IUPAC name of cyclohexyl-(3-ethylpyrrolidin-3-yl)methanone (CID 116570196) is cyclohexyl-(3-ethylpyrrolidin-3-yl)methanone.
What is the SMILES notation for cyclohexyl-(3-ethylpyrrolidin-3-yl)methanone?
The canonical SMILES for cyclohexyl-(3-ethylpyrrolidin-3-yl)methanone is CCC1(C(=O)C2CCCCC2)CCNC1.
What is the InChIKey of cyclohexyl-(3-ethylpyrrolidin-3-yl)methanone?
The InChIKey is MEWQMBXVKPDZEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-13(8-9-14-10-13)12(15)11-6-4-3-5-7-11/h11,14H,2-10H2,1H3.
What are the key properties of cyclohexyl-(3-ethylpyrrolidin-3-yl)methanone?
cyclohexyl-(3-ethylpyrrolidin-3-yl)methanone has a molecular weight of 209.33 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-(3-ethylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 116570196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).