6-(5-methoxy-3-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione

C11H11N3O3 — CID 168981715

IUPAC6-(5-methoxy-3-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCOc1cncc(N2C(=O)NC3(CC3)C2=O)c1
InChIInChI=1S/C11H11N3O3/c1-17-8-4-7(5-12-6-8)14-9(15)11(2-3-11)13-10(14)16/h4-6H,2-3H2,1H3,(H,13,16)
InChIKeyHQXGJNFXIYFNHC-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.68
Rot. Bonds2

About 6-(5-methoxy-3-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione

6-(5-methoxy-3-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione (PubChem CID 168981715) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 6-(5-methoxy-3-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione.

Molecular Properties

Compound Name6-(5-methoxy-3-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione
PubChem CID168981715
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name6-(5-methoxy-3-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione
SMILESCOc1cncc(N2C(=O)NC3(CC3)C2=O)c1
InChIInChI=1S/C11H11N3O3/c1-17-8-4-7(5-12-6-8)14-9(15)11(2-3-11)13-10(14)16/h4-6H,2-3H2,1H3,(H,13,16)
InChIKeyHQXGJNFXIYFNHC-UHFFFAOYSA-N
XLogP0.68
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-3-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione?
The IUPAC name of 6-(5-methoxy-3-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione (CID 168981715) is 6-(5-methoxy-3-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione.
What is the SMILES notation for 6-(5-methoxy-3-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione?
The canonical SMILES for 6-(5-methoxy-3-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione is COc1cncc(N2C(=O)NC3(CC3)C2=O)c1.
What is the InChIKey of 6-(5-methoxy-3-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione?
The InChIKey is HQXGJNFXIYFNHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-17-8-4-7(5-12-6-8)14-9(15)11(2-3-11)13-10(14)16/h4-6H,2-3H2,1H3,(H,13,16).
What are the key properties of 6-(5-methoxy-3-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione?
6-(5-methoxy-3-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione has a molecular weight of 233.23 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-3-pyridinyl)-4,6-diazaspiro[2.4]heptane-5,7-dione is sourced from PubChem (CID 168981715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).