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

C13H21N3O — CID 138388563

IUPAC1-cyclopropyl-4-imino-7,7-dimethyl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(C2CC2)C12CCCC(C)(C)C2
InChIInChI=1S/C13H21N3O/c1-12(2)6-3-7-13(8-12)10(14)15-11(17)16(13)9-4-5-9/h9H,3-8H2,1-2H3,(H2,14,15,17)
InChIKeyJTZFXMOTCLXCJT-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.49
Rot. Bonds1

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

1-cyclopropyl-4-imino-7,7-dimethyl-1,3-diazaspiro[4.5]decan-2-one (PubChem CID 138388563) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-cyclopropyl-4-imino-7,7-dimethyl-1,3-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name1-cyclopropyl-4-imino-7,7-dimethyl-1,3-diazaspiro[4.5]decan-2-one
PubChem CID138388563
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-cyclopropyl-4-imino-7,7-dimethyl-1,3-diazaspiro[4.5]decan-2-one
SMILES[H]/N=C1\NC(=O)N(C2CC2)C12CCCC(C)(C)C2
InChIInChI=1S/C13H21N3O/c1-12(2)6-3-7-13(8-12)10(14)15-11(17)16(13)9-4-5-9/h9H,3-8H2,1-2H3,(H2,14,15,17)
InChIKeyJTZFXMOTCLXCJT-UHFFFAOYSA-N
XLogP2.49
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.49
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-cyclopropyl-4-imino-7,7-dimethyl-1,3-diazaspiro[4.5]decan-2-one?
The IUPAC name of 1-cyclopropyl-4-imino-7,7-dimethyl-1,3-diazaspiro[4.5]decan-2-one (CID 138388563) is 1-cyclopropyl-4-imino-7,7-dimethyl-1,3-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 1-cyclopropyl-4-imino-7,7-dimethyl-1,3-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 1-cyclopropyl-4-imino-7,7-dimethyl-1,3-diazaspiro[4.5]decan-2-one is [H]/N=C1\NC(=O)N(C2CC2)C12CCCC(C)(C)C2.
What is the InChIKey of 1-cyclopropyl-4-imino-7,7-dimethyl-1,3-diazaspiro[4.5]decan-2-one?
The InChIKey is JTZFXMOTCLXCJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-12(2)6-3-7-13(8-12)10(14)15-11(17)16(13)9-4-5-9/h9H,3-8H2,1-2H3,(H2,14,15,17).
What are the key properties of 1-cyclopropyl-4-imino-7,7-dimethyl-1,3-diazaspiro[4.5]decan-2-one?
1-cyclopropyl-4-imino-7,7-dimethyl-1,3-diazaspiro[4.5]decan-2-one has a molecular weight of 235.33 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-imino-7,7-dimethyl-1,3-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 138388563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).