9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione;molecular hydrogen

C8H17N3O2 — CID 177033435

IUPAC9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione;molecular hydrogen
SMILESCN1CCCC2(C1)NC(=O)NC2=O.[H][H].[H][H]
InChIInChI=1S/C8H13N3O2.2H2/c1-11-4-2-3-8(5-11)6(12)9-7(13)10-8;;/h2-5H2,1H3,(H2,9,10,12,13);2*1H
InChIKeyBKWCFCFOBMVZRR-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.22
Rot. Bonds

About 9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione;molecular hydrogen

9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione;molecular hydrogen (PubChem CID 177033435) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione;molecular hydrogen.

Molecular Properties

Compound Name9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione;molecular hydrogen
PubChem CID177033435
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione;molecular hydrogen
SMILESCN1CCCC2(C1)NC(=O)NC2=O.[H][H].[H][H]
InChIInChI=1S/C8H13N3O2.2H2/c1-11-4-2-3-8(5-11)6(12)9-7(13)10-8;;/h2-5H2,1H3,(H2,9,10,12,13);2*1H
InChIKeyBKWCFCFOBMVZRR-UHFFFAOYSA-N
XLogP-0.22
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.22
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 9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione;molecular hydrogen?
The IUPAC name of 9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione;molecular hydrogen (CID 177033435) is 9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione;molecular hydrogen.
What is the SMILES notation for 9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione;molecular hydrogen?
The canonical SMILES for 9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione;molecular hydrogen is CN1CCCC2(C1)NC(=O)NC2=O.[H][H].[H][H].
What is the InChIKey of 9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione;molecular hydrogen?
The InChIKey is BKWCFCFOBMVZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2.2H2/c1-11-4-2-3-8(5-11)6(12)9-7(13)10-8;;/h2-5H2,1H3,(H2,9,10,12,13);2*1H.
What are the key properties of 9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione;molecular hydrogen?
9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione;molecular hydrogen has a molecular weight of 187.24 g/mol, XLogP of -0.22, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-1,3,9-triazaspiro[4.5]decane-2,4-dione;molecular hydrogen is sourced from PubChem (CID 177033435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).