2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one

C18H25NO — CID 126703053

IUPAC2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one
SMILESCCC1CCC2(CC1)CCN(Cc1ccccc1)C2=O
InChIInChI=1S/C18H25NO/c1-2-15-8-10-18(11-9-15)12-13-19(17(18)20)14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3
InChIKeyAUKGTMFVMTWQMI-UHFFFAOYSA-N
MW271.40 g/mol
LogP4.01
Rot. Bonds3

About 2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one

2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one (PubChem CID 126703053) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one
PubChem CID126703053
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one
SMILESCCC1CCC2(CC1)CCN(Cc1ccccc1)C2=O
InChIInChI=1S/C18H25NO/c1-2-15-8-10-18(11-9-15)12-13-19(17(18)20)14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3
InChIKeyAUKGTMFVMTWQMI-UHFFFAOYSA-N
XLogP4.01
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one (CID 126703053) is 2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one is CCC1CCC2(CC1)CCN(Cc1ccccc1)C2=O.
What is the InChIKey of 2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one?
The InChIKey is AUKGTMFVMTWQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-2-15-8-10-18(11-9-15)12-13-19(17(18)20)14-16-6-4-3-5-7-16/h3-7,15H,2,8-14H2,1H3.
What are the key properties of 2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one?
2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one has a molecular weight of 271.40 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-8-ethyl-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 126703053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).