(8R)-1,8-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C8H13N3O2 — CID 171733048

IUPAC(8R)-1,8-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESC[C@@H]1CC2(CN1)C(=O)NC(=O)N2C
InChIInChI=1S/C8H13N3O2/c1-5-3-8(4-9-5)6(12)10-7(13)11(8)2/h5,9H,3-4H2,1-2H3,(H,10,12,13)/t5-,8?/m1/s1
InChIKeyDHEZDYPDMJFBRC-RUQIKYNFSA-N
MW183.21 g/mol
LogP-0.71
Rot. Bonds

About (8R)-1,8-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

(8R)-1,8-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 171733048) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is (8R)-1,8-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name(8R)-1,8-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID171733048
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name(8R)-1,8-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESC[C@@H]1CC2(CN1)C(=O)NC(=O)N2C
InChIInChI=1S/C8H13N3O2/c1-5-3-8(4-9-5)6(12)10-7(13)11(8)2/h5,9H,3-4H2,1-2H3,(H,10,12,13)/t5-,8?/m1/s1
InChIKeyDHEZDYPDMJFBRC-RUQIKYNFSA-N
XLogP-0.71
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (8R)-1,8-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of (8R)-1,8-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 171733048) is (8R)-1,8-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for (8R)-1,8-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for (8R)-1,8-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is C[C@@H]1CC2(CN1)C(=O)NC(=O)N2C.
What is the InChIKey of (8R)-1,8-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is DHEZDYPDMJFBRC-RUQIKYNFSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-5-3-8(4-9-5)6(12)10-7(13)11(8)2/h5,9H,3-4H2,1-2H3,(H,10,12,13)/t5-,8?/m1/s1.
What are the key properties of (8R)-1,8-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
(8R)-1,8-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 183.21 g/mol, XLogP of -0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8R)-1,8-dimethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 171733048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).