8-[4-(methylamino)oxolane-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

C13H20N4O4 — CID 66266807

IUPAC8-[4-(methylamino)oxolane-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCNC1COCC1C(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C13H20N4O4/c1-14-9-7-21-6-8(9)10(18)17-4-2-13(3-5-17)11(19)15-12(20)16-13/h8-9,14H,2-7H2,1H3,(H2,15,16,19,20)
InChIKeyVHGWSWRRQRPCFQ-UHFFFAOYSA-N
MW296.33 g/mol
LogP-1.58
Rot. Bonds2

About 8-[4-(methylamino)oxolane-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[4-(methylamino)oxolane-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 66266807) has the molecular formula C13H20N4O4 and a molecular weight of 296.33 g/mol. Its IUPAC name is 8-[4-(methylamino)oxolane-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[4-(methylamino)oxolane-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID66266807
Molecular FormulaC13H20N4O4
Molecular Weight296.33 g/mol
Exact Mass296.15
IUPAC Name8-[4-(methylamino)oxolane-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCNC1COCC1C(=O)N1CCC2(CC1)NC(=O)NC2=O
InChIInChI=1S/C13H20N4O4/c1-14-9-7-21-6-8(9)10(18)17-4-2-13(3-5-17)11(19)15-12(20)16-13/h8-9,14H,2-7H2,1H3,(H2,15,16,19,20)
InChIKeyVHGWSWRRQRPCFQ-UHFFFAOYSA-N
XLogP-1.58
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 5-1.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-[4-(methylamino)oxolane-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[4-(methylamino)oxolane-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 66266807) is 8-[4-(methylamino)oxolane-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[4-(methylamino)oxolane-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[4-(methylamino)oxolane-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is CNC1COCC1C(=O)N1CCC2(CC1)NC(=O)NC2=O.
What is the InChIKey of 8-[4-(methylamino)oxolane-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is VHGWSWRRQRPCFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O4/c1-14-9-7-21-6-8(9)10(18)17-4-2-13(3-5-17)11(19)15-12(20)16-13/h8-9,14H,2-7H2,1H3,(H2,15,16,19,20).
What are the key properties of 8-[4-(methylamino)oxolane-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[4-(methylamino)oxolane-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 296.33 g/mol, XLogP of -1.58, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(methylamino)oxolane-3-carbonyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 66266807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).