1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one

C17H23N3O — CID 138390897

IUPAC1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(Cc2ccccc2)C12CCC(C)C(C)C2
InChIInChI=1S/C17H23N3O/c1-12-8-9-17(10-13(12)2)15(18)19-16(21)20(17)11-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,18,19,21)
InChIKeyJDGQURXVBNOHAK-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.38
Rot. Bonds2

About 1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one

1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138390897) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138390897
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(Cc2ccccc2)C12CCC(C)C(C)C2
InChIInChI=1S/C17H23N3O/c1-12-8-9-17(10-13(12)2)15(18)19-16(21)20(17)11-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,18,19,21)
InChIKeyJDGQURXVBNOHAK-UHFFFAOYSA-N
XLogP3.38
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one (CID 138390897) is 1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(Cc2ccccc2)C12CCC(C)C(C)C2.
What is the InChIKey of 1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is JDGQURXVBNOHAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-12-8-9-17(10-13(12)2)15(18)19-16(21)20(17)11-14-6-4-3-5-7-14/h3-7,12-13H,8-11H2,1-2H3,(H2,18,19,21).
What are the key properties of 1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one?
1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 285.39 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-4-imino-7,8-dimethyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138390897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).