8-(cyclopentanecarbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C15H23N3O3 — CID 27377650

IUPAC8-(cyclopentanecarbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(C)C2(CCN(C(=O)C3CCCC3)CC2)C1=O
InChIInChI=1S/C15H23N3O3/c1-16-13(20)15(17(2)14(16)21)7-9-18(10-8-15)12(19)11-5-3-4-6-11/h11H,3-10H2,1-2H3
InChIKeyKJSSCIIFZOFLEZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.06
Rot. Bonds1

About 8-(cyclopentanecarbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(cyclopentanecarbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 27377650) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 8-(cyclopentanecarbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(cyclopentanecarbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID27377650
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name8-(cyclopentanecarbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCN1C(=O)N(C)C2(CCN(C(=O)C3CCCC3)CC2)C1=O
InChIInChI=1S/C15H23N3O3/c1-16-13(20)15(17(2)14(16)21)7-9-18(10-8-15)12(19)11-5-3-4-6-11/h11H,3-10H2,1-2H3
InChIKeyKJSSCIIFZOFLEZ-UHFFFAOYSA-N
XLogP1.06
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.06
H-Bond Donors ≤ 50
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 8-(cyclopentanecarbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(cyclopentanecarbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 27377650) is 8-(cyclopentanecarbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(cyclopentanecarbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(cyclopentanecarbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CN1C(=O)N(C)C2(CCN(C(=O)C3CCCC3)CC2)C1=O.
What is the InChIKey of 8-(cyclopentanecarbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is KJSSCIIFZOFLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-16-13(20)15(17(2)14(16)21)7-9-18(10-8-15)12(19)11-5-3-4-6-11/h11H,3-10H2,1-2H3.
What are the key properties of 8-(cyclopentanecarbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(cyclopentanecarbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 293.37 g/mol, XLogP of 1.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopentanecarbonyl)-1,3-dimethyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 27377650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).