6-ethyl-1-propyl-1-azaspiro[4.5]dec-6-en-10-one

C14H23NO — CID 142434255

IUPAC6-ethyl-1-propyl-1-azaspiro[4.5]dec-6-en-10-one
SMILESCCCN1CCCC12C(=O)CCC=C2CC
InChIInChI=1S/C14H23NO/c1-3-10-15-11-6-9-14(15)12(4-2)7-5-8-13(14)16/h7H,3-6,8-11H2,1-2H3
InChIKeyPZRLRTDGCBOSRM-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.93
Rot. Bonds3

About 6-ethyl-1-propyl-1-azaspiro[4.5]dec-6-en-10-one

6-ethyl-1-propyl-1-azaspiro[4.5]dec-6-en-10-one (PubChem CID 142434255) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 6-ethyl-1-propyl-1-azaspiro[4.5]dec-6-en-10-one.

Molecular Properties

Compound Name6-ethyl-1-propyl-1-azaspiro[4.5]dec-6-en-10-one
PubChem CID142434255
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name6-ethyl-1-propyl-1-azaspiro[4.5]dec-6-en-10-one
SMILESCCCN1CCCC12C(=O)CCC=C2CC
InChIInChI=1S/C14H23NO/c1-3-10-15-11-6-9-14(15)12(4-2)7-5-8-13(14)16/h7H,3-6,8-11H2,1-2H3
InChIKeyPZRLRTDGCBOSRM-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 6-ethyl-1-propyl-1-azaspiro[4.5]dec-6-en-10-one?
The IUPAC name of 6-ethyl-1-propyl-1-azaspiro[4.5]dec-6-en-10-one (CID 142434255) is 6-ethyl-1-propyl-1-azaspiro[4.5]dec-6-en-10-one.
What is the SMILES notation for 6-ethyl-1-propyl-1-azaspiro[4.5]dec-6-en-10-one?
The canonical SMILES for 6-ethyl-1-propyl-1-azaspiro[4.5]dec-6-en-10-one is CCCN1CCCC12C(=O)CCC=C2CC.
What is the InChIKey of 6-ethyl-1-propyl-1-azaspiro[4.5]dec-6-en-10-one?
The InChIKey is PZRLRTDGCBOSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-10-15-11-6-9-14(15)12(4-2)7-5-8-13(14)16/h7H,3-6,8-11H2,1-2H3.
What are the key properties of 6-ethyl-1-propyl-1-azaspiro[4.5]dec-6-en-10-one?
6-ethyl-1-propyl-1-azaspiro[4.5]dec-6-en-10-one has a molecular weight of 221.34 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-1-propyl-1-azaspiro[4.5]dec-6-en-10-one is sourced from PubChem (CID 142434255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).