cyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone

C13H21NO — CID 67600688

IUPACcyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone
SMILESC=C[C@H]1CCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C13H21NO/c1-2-11-8-9-14(10-11)13(15)12-6-4-3-5-7-12/h2,11-12H,1,3-10H2/t11-/m0/s1
InChIKeyRNXJJWLFPZVEJM-NSHDSACASA-N
MW207.32 g/mol
LogP2.60
Rot. Bonds2

About cyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone

cyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone (PubChem CID 67600688) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is cyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone
PubChem CID67600688
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Namecyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone
SMILESC=C[C@H]1CCN(C(=O)C2CCCCC2)C1
InChIInChI=1S/C13H21NO/c1-2-11-8-9-14(10-11)13(15)12-6-4-3-5-7-12/h2,11-12H,1,3-10H2/t11-/m0/s1
InChIKeyRNXJJWLFPZVEJM-NSHDSACASA-N
XLogP2.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone?
The IUPAC name of cyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone (CID 67600688) is cyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone?
The canonical SMILES for cyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone is C=C[C@H]1CCN(C(=O)C2CCCCC2)C1.
What is the InChIKey of cyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone?
The InChIKey is RNXJJWLFPZVEJM-NSHDSACASA-N. The full InChI is InChI=1S/C13H21NO/c1-2-11-8-9-14(10-11)13(15)12-6-4-3-5-7-12/h2,11-12H,1,3-10H2/t11-/m0/s1.
What are the key properties of cyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone?
cyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone has a molecular weight of 207.32 g/mol, XLogP of 2.60, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl-[(3R)-3-ethenylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 67600688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).