3-imino-8-methyl-2,8-diazaspiro[4.5]decan-1-one

C9H15N3O — CID 152756450

IUPAC3-imino-8-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILES[H]/N=C1\CC2(CCN(C)CC2)C(=O)N1
InChIInChI=1S/C9H15N3O/c1-12-4-2-9(3-5-12)6-7(10)11-8(9)13/h2-6H2,1H3,(H2,10,11,13)
InChIKeyHCTSRXIXGOSZLE-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.20
Rot. Bonds

About 3-imino-8-methyl-2,8-diazaspiro[4.5]decan-1-one

3-imino-8-methyl-2,8-diazaspiro[4.5]decan-1-one (PubChem CID 152756450) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-imino-8-methyl-2,8-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name3-imino-8-methyl-2,8-diazaspiro[4.5]decan-1-one
PubChem CID152756450
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-imino-8-methyl-2,8-diazaspiro[4.5]decan-1-one
SMILES[H]/N=C1\CC2(CCN(C)CC2)C(=O)N1
InChIInChI=1S/C9H15N3O/c1-12-4-2-9(3-5-12)6-7(10)11-8(9)13/h2-6H2,1H3,(H2,10,11,13)
InChIKeyHCTSRXIXGOSZLE-UHFFFAOYSA-N
XLogP0.20
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-imino-8-methyl-2,8-diazaspiro[4.5]decan-1-one?
The IUPAC name of 3-imino-8-methyl-2,8-diazaspiro[4.5]decan-1-one (CID 152756450) is 3-imino-8-methyl-2,8-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 3-imino-8-methyl-2,8-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 3-imino-8-methyl-2,8-diazaspiro[4.5]decan-1-one is [H]/N=C1\CC2(CCN(C)CC2)C(=O)N1.
What is the InChIKey of 3-imino-8-methyl-2,8-diazaspiro[4.5]decan-1-one?
The InChIKey is HCTSRXIXGOSZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-4-2-9(3-5-12)6-7(10)11-8(9)13/h2-6H2,1H3,(H2,10,11,13).
What are the key properties of 3-imino-8-methyl-2,8-diazaspiro[4.5]decan-1-one?
3-imino-8-methyl-2,8-diazaspiro[4.5]decan-1-one has a molecular weight of 181.24 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imino-8-methyl-2,8-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 152756450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).