8-methyl-3-prop-2-ynyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C11H15N3O2 — CID 10198365

IUPAC8-methyl-3-prop-2-ynyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC#CCN1C(=O)NC2(CCN(C)CC2)C1=O
InChIInChI=1S/C11H15N3O2/c1-3-6-14-9(15)11(12-10(14)16)4-7-13(2)8-5-11/h1H,4-8H2,2H3,(H,12,16)
InChIKeyNUCLTGRGFJKGAN-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.36
Rot. Bonds1

About 8-methyl-3-prop-2-ynyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-methyl-3-prop-2-ynyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 10198365) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is 8-methyl-3-prop-2-ynyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-methyl-3-prop-2-ynyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID10198365
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name8-methyl-3-prop-2-ynyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC#CCN1C(=O)NC2(CCN(C)CC2)C1=O
InChIInChI=1S/C11H15N3O2/c1-3-6-14-9(15)11(12-10(14)16)4-7-13(2)8-5-11/h1H,4-8H2,2H3,(H,12,16)
InChIKeyNUCLTGRGFJKGAN-UHFFFAOYSA-N
XLogP-0.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-prop-2-ynyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-methyl-3-prop-2-ynyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 10198365) is 8-methyl-3-prop-2-ynyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-methyl-3-prop-2-ynyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-methyl-3-prop-2-ynyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is C#CCN1C(=O)NC2(CCN(C)CC2)C1=O.
What is the InChIKey of 8-methyl-3-prop-2-ynyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is NUCLTGRGFJKGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-3-6-14-9(15)11(12-10(14)16)4-7-13(2)8-5-11/h1H,4-8H2,2H3,(H,12,16).
What are the key properties of 8-methyl-3-prop-2-ynyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-methyl-3-prop-2-ynyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 221.26 g/mol, XLogP of -0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-prop-2-ynyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 10198365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).