(6R,11R)-11-butyl-1-azaspiro[5.5]undec-9-en-2-one

C14H23NO — CID 11435983

IUPAC(6R,11R)-11-butyl-1-azaspiro[5.5]undec-9-en-2-one
SMILESCCCC[C@@H]1C=CCC[C@]12CCCC(=O)N2
InChIInChI=1S/C14H23NO/c1-2-3-7-12-8-4-5-10-14(12)11-6-9-13(16)15-14/h4,8,12H,2-3,5-7,9-11H2,1H3,(H,15,16)/t12-,14+/m1/s1
InChIKeyPPSPVLZOAKVOFR-OCCSQVGLSA-N
MW221.34 g/mol
LogP3.18
Rot. Bonds3

About (6R,11R)-11-butyl-1-azaspiro[5.5]undec-9-en-2-one

(6R,11R)-11-butyl-1-azaspiro[5.5]undec-9-en-2-one (PubChem CID 11435983) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is (6R,11R)-11-butyl-1-azaspiro[5.5]undec-9-en-2-one.

Molecular Properties

Compound Name(6R,11R)-11-butyl-1-azaspiro[5.5]undec-9-en-2-one
PubChem CID11435983
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name(6R,11R)-11-butyl-1-azaspiro[5.5]undec-9-en-2-one
SMILESCCCC[C@@H]1C=CCC[C@]12CCCC(=O)N2
InChIInChI=1S/C14H23NO/c1-2-3-7-12-8-4-5-10-14(12)11-6-9-13(16)15-14/h4,8,12H,2-3,5-7,9-11H2,1H3,(H,15,16)/t12-,14+/m1/s1
InChIKeyPPSPVLZOAKVOFR-OCCSQVGLSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.18
H-Bond Donors ≤ 51
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 (6R,11R)-11-butyl-1-azaspiro[5.5]undec-9-en-2-one?
The IUPAC name of (6R,11R)-11-butyl-1-azaspiro[5.5]undec-9-en-2-one (CID 11435983) is (6R,11R)-11-butyl-1-azaspiro[5.5]undec-9-en-2-one.
What is the SMILES notation for (6R,11R)-11-butyl-1-azaspiro[5.5]undec-9-en-2-one?
The canonical SMILES for (6R,11R)-11-butyl-1-azaspiro[5.5]undec-9-en-2-one is CCCC[C@@H]1C=CCC[C@]12CCCC(=O)N2.
What is the InChIKey of (6R,11R)-11-butyl-1-azaspiro[5.5]undec-9-en-2-one?
The InChIKey is PPSPVLZOAKVOFR-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-7-12-8-4-5-10-14(12)11-6-9-13(16)15-14/h4,8,12H,2-3,5-7,9-11H2,1H3,(H,15,16)/t12-,14+/m1/s1.
What are the key properties of (6R,11R)-11-butyl-1-azaspiro[5.5]undec-9-en-2-one?
(6R,11R)-11-butyl-1-azaspiro[5.5]undec-9-en-2-one has a molecular weight of 221.34 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6R,11R)-11-butyl-1-azaspiro[5.5]undec-9-en-2-one is sourced from PubChem (CID 11435983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).