1-(5-azaspiro[2.5]octan-5-yl)-2-[(1R)-cyclohex-2-en-1-yl]ethanone

C15H23NO — CID 164640600

IUPAC1-(5-azaspiro[2.5]octan-5-yl)-2-[(1R)-cyclohex-2-en-1-yl]ethanone
SMILESO=C(C[C@@H]1C=CCCC1)N1CCCC2(CC2)C1
InChIInChI=1S/C15H23NO/c17-14(11-13-5-2-1-3-6-13)16-10-4-7-15(12-16)8-9-15/h2,5,13H,1,3-4,6-12H2/t13-/m1/s1
InChIKeyHTHNHKFZVUBXKE-CYBMUJFWSA-N
MW233.35 g/mol
LogP3.14
Rot. Bonds2

About 1-(5-azaspiro[2.5]octan-5-yl)-2-[(1R)-cyclohex-2-en-1-yl]ethanone

1-(5-azaspiro[2.5]octan-5-yl)-2-[(1R)-cyclohex-2-en-1-yl]ethanone (PubChem CID 164640600) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(5-azaspiro[2.5]octan-5-yl)-2-[(1R)-cyclohex-2-en-1-yl]ethanone.

Molecular Properties

Compound Name1-(5-azaspiro[2.5]octan-5-yl)-2-[(1R)-cyclohex-2-en-1-yl]ethanone
PubChem CID164640600
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(5-azaspiro[2.5]octan-5-yl)-2-[(1R)-cyclohex-2-en-1-yl]ethanone
SMILESO=C(C[C@@H]1C=CCCC1)N1CCCC2(CC2)C1
InChIInChI=1S/C15H23NO/c17-14(11-13-5-2-1-3-6-13)16-10-4-7-15(12-16)8-9-15/h2,5,13H,1,3-4,6-12H2/t13-/m1/s1
InChIKeyHTHNHKFZVUBXKE-CYBMUJFWSA-N
XLogP3.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.14
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 1-(5-azaspiro[2.5]octan-5-yl)-2-[(1R)-cyclohex-2-en-1-yl]ethanone?
The IUPAC name of 1-(5-azaspiro[2.5]octan-5-yl)-2-[(1R)-cyclohex-2-en-1-yl]ethanone (CID 164640600) is 1-(5-azaspiro[2.5]octan-5-yl)-2-[(1R)-cyclohex-2-en-1-yl]ethanone.
What is the SMILES notation for 1-(5-azaspiro[2.5]octan-5-yl)-2-[(1R)-cyclohex-2-en-1-yl]ethanone?
The canonical SMILES for 1-(5-azaspiro[2.5]octan-5-yl)-2-[(1R)-cyclohex-2-en-1-yl]ethanone is O=C(C[C@@H]1C=CCCC1)N1CCCC2(CC2)C1.
What is the InChIKey of 1-(5-azaspiro[2.5]octan-5-yl)-2-[(1R)-cyclohex-2-en-1-yl]ethanone?
The InChIKey is HTHNHKFZVUBXKE-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H23NO/c17-14(11-13-5-2-1-3-6-13)16-10-4-7-15(12-16)8-9-15/h2,5,13H,1,3-4,6-12H2/t13-/m1/s1.
What are the key properties of 1-(5-azaspiro[2.5]octan-5-yl)-2-[(1R)-cyclohex-2-en-1-yl]ethanone?
1-(5-azaspiro[2.5]octan-5-yl)-2-[(1R)-cyclohex-2-en-1-yl]ethanone has a molecular weight of 233.35 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-azaspiro[2.5]octan-5-yl)-2-[(1R)-cyclohex-2-en-1-yl]ethanone is sourced from PubChem (CID 164640600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).