4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one

C11H19N3O — CID 138388762

IUPAC4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C12CCC(C)C2
InChIInChI=1S/C11H19N3O/c1-3-6-14-10(15)13-9(12)11(14)5-4-8(2)7-11/h8H,3-7H2,1-2H3,(H2,12,13,15)
InChIKeyKNYLVAFGNJFOSW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.96
Rot. Bonds2

About 4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one

4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one (PubChem CID 138388762) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one
PubChem CID138388762
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one
SMILES[H]/N=C1\NC(=O)N(CCC)C12CCC(C)C2
InChIInChI=1S/C11H19N3O/c1-3-6-14-10(15)13-9(12)11(14)5-4-8(2)7-11/h8H,3-7H2,1-2H3,(H2,12,13,15)
InChIKeyKNYLVAFGNJFOSW-UHFFFAOYSA-N
XLogP1.96
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.96
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 4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one (CID 138388762) is 4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one is [H]/N=C1\NC(=O)N(CCC)C12CCC(C)C2.
What is the InChIKey of 4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one?
The InChIKey is KNYLVAFGNJFOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-3-6-14-10(15)13-9(12)11(14)5-4-8(2)7-11/h8H,3-7H2,1-2H3,(H2,12,13,15).
What are the key properties of 4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one?
4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one has a molecular weight of 209.29 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-8-methyl-1-propyl-1,3-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 138388762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).