2-methyl-13-oxa-2,4,10-triazadispiro[4.1.57.35]pentadecane-1,3-dione

C12H19N3O3 — CID 172909205

IUPAC2-methyl-13-oxa-2,4,10-triazadispiro[4.1.57.35]pentadecane-1,3-dione
SMILESCN1C(=O)NC2(CCOC3(CCNCC3)C2)C1=O
InChIInChI=1S/C12H19N3O3/c1-15-9(16)12(14-10(15)17)4-7-18-11(8-12)2-5-13-6-3-11/h13H,2-8H2,1H3,(H,14,17)
InChIKeyOTXCPHBWHFLSKK-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.16
Rot. Bonds

About 2-methyl-13-oxa-2,4,10-triazadispiro[4.1.57.35]pentadecane-1,3-dione

2-methyl-13-oxa-2,4,10-triazadispiro[4.1.57.35]pentadecane-1,3-dione (PubChem CID 172909205) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-methyl-13-oxa-2,4,10-triazadispiro[4.1.57.35]pentadecane-1,3-dione.

Molecular Properties

Compound Name2-methyl-13-oxa-2,4,10-triazadispiro[4.1.57.35]pentadecane-1,3-dione
PubChem CID172909205
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-methyl-13-oxa-2,4,10-triazadispiro[4.1.57.35]pentadecane-1,3-dione
SMILESCN1C(=O)NC2(CCOC3(CCNCC3)C2)C1=O
InChIInChI=1S/C12H19N3O3/c1-15-9(16)12(14-10(15)17)4-7-18-11(8-12)2-5-13-6-3-11/h13H,2-8H2,1H3,(H,14,17)
InChIKeyOTXCPHBWHFLSKK-UHFFFAOYSA-N
XLogP-0.16
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
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 2-methyl-13-oxa-2,4,10-triazadispiro[4.1.57.35]pentadecane-1,3-dione?
The IUPAC name of 2-methyl-13-oxa-2,4,10-triazadispiro[4.1.57.35]pentadecane-1,3-dione (CID 172909205) is 2-methyl-13-oxa-2,4,10-triazadispiro[4.1.57.35]pentadecane-1,3-dione.
What is the SMILES notation for 2-methyl-13-oxa-2,4,10-triazadispiro[4.1.57.35]pentadecane-1,3-dione?
The canonical SMILES for 2-methyl-13-oxa-2,4,10-triazadispiro[4.1.57.35]pentadecane-1,3-dione is CN1C(=O)NC2(CCOC3(CCNCC3)C2)C1=O.
What is the InChIKey of 2-methyl-13-oxa-2,4,10-triazadispiro[4.1.57.35]pentadecane-1,3-dione?
The InChIKey is OTXCPHBWHFLSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-15-9(16)12(14-10(15)17)4-7-18-11(8-12)2-5-13-6-3-11/h13H,2-8H2,1H3,(H,14,17).
What are the key properties of 2-methyl-13-oxa-2,4,10-triazadispiro[4.1.57.35]pentadecane-1,3-dione?
2-methyl-13-oxa-2,4,10-triazadispiro[4.1.57.35]pentadecane-1,3-dione has a molecular weight of 253.30 g/mol, XLogP of -0.16, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-13-oxa-2,4,10-triazadispiro[4.1.57.35]pentadecane-1,3-dione is sourced from PubChem (CID 172909205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).