1,3-diaza-8-azanidaspiro[4.5]decane-2,4-dione;lanthanum

C7H10LaN3O2- — CID 59312019

IUPAC1,3-diaza-8-azanidaspiro[4.5]decane-2,4-dione;lanthanum
SMILESO=C1NC(=O)C2(CC[N-]CC2)N1.[La]
InChIInChI=1S/C7H10N3O2.La/c11-5-7(10-6(12)9-5)1-3-8-4-2-7;/h1-4H2,(H2,9,10,11,12);/q-1;
InChIKeyBBUZNCIMBWYRHJ-UHFFFAOYSA-N
MW307.08 g/mol
LogP-0.27
Rot. Bonds

About 1,3-diaza-8-azanidaspiro[4.5]decane-2,4-dione;lanthanum

1,3-diaza-8-azanidaspiro[4.5]decane-2,4-dione;lanthanum (PubChem CID 59312019) has the molecular formula C7H10LaN3O2- and a molecular weight of 307.08 g/mol. Its IUPAC name is 1,3-diaza-8-azanidaspiro[4.5]decane-2,4-dione;lanthanum.

Molecular Properties

Compound Name1,3-diaza-8-azanidaspiro[4.5]decane-2,4-dione;lanthanum
PubChem CID59312019
Molecular FormulaC7H10LaN3O2-
Molecular Weight307.08 g/mol
Exact Mass306.98
IUPAC Name1,3-diaza-8-azanidaspiro[4.5]decane-2,4-dione;lanthanum
SMILESO=C1NC(=O)C2(CC[N-]CC2)N1.[La]
InChIInChI=1S/C7H10N3O2.La/c11-5-7(10-6(12)9-5)1-3-8-4-2-7;/h1-4H2,(H2,9,10,11,12);/q-1;
InChIKeyBBUZNCIMBWYRHJ-UHFFFAOYSA-N
XLogP-0.27
TPSA72.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.08
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-diaza-8-azanidaspiro[4.5]decane-2,4-dione;lanthanum?
The IUPAC name of 1,3-diaza-8-azanidaspiro[4.5]decane-2,4-dione;lanthanum (CID 59312019) is 1,3-diaza-8-azanidaspiro[4.5]decane-2,4-dione;lanthanum.
What is the SMILES notation for 1,3-diaza-8-azanidaspiro[4.5]decane-2,4-dione;lanthanum?
The canonical SMILES for 1,3-diaza-8-azanidaspiro[4.5]decane-2,4-dione;lanthanum is O=C1NC(=O)C2(CC[N-]CC2)N1.[La].
What is the InChIKey of 1,3-diaza-8-azanidaspiro[4.5]decane-2,4-dione;lanthanum?
The InChIKey is BBUZNCIMBWYRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N3O2.La/c11-5-7(10-6(12)9-5)1-3-8-4-2-7;/h1-4H2,(H2,9,10,11,12);/q-1;.
What are the key properties of 1,3-diaza-8-azanidaspiro[4.5]decane-2,4-dione;lanthanum?
1,3-diaza-8-azanidaspiro[4.5]decane-2,4-dione;lanthanum has a molecular weight of 307.08 g/mol, XLogP of -0.27, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diaza-8-azanidaspiro[4.5]decane-2,4-dione;lanthanum is sourced from PubChem (CID 59312019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).