[(1R)-cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone

C11H17NO — CID 36691114

IUPAC[(1R)-cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1CC=CCC1)N1CCCC1
InChIInChI=1S/C11H17NO/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-2,10H,3-9H2/t10-/m0/s1
InChIKeyOBYOOQSULHYECT-JTQLQIEISA-N
MW179.26 g/mol
LogP1.97
Rot. Bonds1

About [(1R)-cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone

[(1R)-cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone (PubChem CID 36691114) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is [(1R)-cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[(1R)-cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone
PubChem CID36691114
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name[(1R)-cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone
SMILESO=C([C@H]1CC=CCC1)N1CCCC1
InChIInChI=1S/C11H17NO/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-2,10H,3-9H2/t10-/m0/s1
InChIKeyOBYOOQSULHYECT-JTQLQIEISA-N
XLogP1.97
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.97
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 [(1R)-cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [(1R)-cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone (CID 36691114) is [(1R)-cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [(1R)-cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [(1R)-cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone is O=C([C@H]1CC=CCC1)N1CCCC1.
What is the InChIKey of [(1R)-cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is OBYOOQSULHYECT-JTQLQIEISA-N. The full InChI is InChI=1S/C11H17NO/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-2,10H,3-9H2/t10-/m0/s1.
What are the key properties of [(1R)-cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone?
[(1R)-cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 179.26 g/mol, XLogP of 1.97, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-cyclohex-3-en-1-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 36691114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).