3-(cyclobutylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C11H17N3O2 — CID 139306482

IUPAC3-(cyclobutylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCNC2)C(=O)N1CC1CCC1
InChIInChI=1S/C11H17N3O2/c15-9-11(4-5-12-7-11)13-10(16)14(9)6-8-2-1-3-8/h8,12H,1-7H2,(H,13,16)
InChIKeyFZFCQFUDLRSTTE-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.07
Rot. Bonds2

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

3-(cyclobutylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 139306482) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(cyclobutylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-(cyclobutylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID139306482
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(cyclobutylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCNC2)C(=O)N1CC1CCC1
InChIInChI=1S/C11H17N3O2/c15-9-11(4-5-12-7-11)13-10(16)14(9)6-8-2-1-3-8/h8,12H,1-7H2,(H,13,16)
InChIKeyFZFCQFUDLRSTTE-UHFFFAOYSA-N
XLogP0.07
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.07
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 3-(cyclobutylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-(cyclobutylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 139306482) is 3-(cyclobutylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-(cyclobutylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-(cyclobutylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCNC2)C(=O)N1CC1CCC1.
What is the InChIKey of 3-(cyclobutylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is FZFCQFUDLRSTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c15-9-11(4-5-12-7-11)13-10(16)14(9)6-8-2-1-3-8/h8,12H,1-7H2,(H,13,16).
What are the key properties of 3-(cyclobutylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
3-(cyclobutylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 223.28 g/mol, XLogP of 0.07, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobutylmethyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 139306482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).