2-(2-methylpropyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione

C9H15N3O2 — CID 147382096

IUPAC2-(2-methylpropyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione
SMILESCC(C)CN1CC2(C1)NC(=O)NC2=O
InChIInChI=1S/C9H15N3O2/c1-6(2)3-12-4-9(5-12)7(13)10-8(14)11-9/h6H,3-5H2,1-2H3,(H2,10,11,13,14)
InChIKeyDLEGQXJJFLQGTR-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.46
Rot. Bonds2

About 2-(2-methylpropyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione

2-(2-methylpropyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione (PubChem CID 147382096) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-(2-methylpropyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione.

Molecular Properties

Compound Name2-(2-methylpropyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione
PubChem CID147382096
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-(2-methylpropyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione
SMILESCC(C)CN1CC2(C1)NC(=O)NC2=O
InChIInChI=1S/C9H15N3O2/c1-6(2)3-12-4-9(5-12)7(13)10-8(14)11-9/h6H,3-5H2,1-2H3,(H2,10,11,13,14)
InChIKeyDLEGQXJJFLQGTR-UHFFFAOYSA-N
XLogP-0.46
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-(3-methylbutylsulfonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996268
CID 169145668
CID 169145668
8-(2-oxopropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098573
2,4,11,13-tetrazatrispiro[4.1.1.49.17.15]pentadecane-1,3,10,12-tetrone
CID 44552395
9-(2-methylpropyl)-6,9-diazaspiro[4.5]decan-4-one
CID 158678479
(5S)-7-benzyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 28881549
8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione;hydrate
CID 154701034
7-(2-methylpropyl)-1,7-diazaspiro[4.4]nonan-2-one
CID 139457817
N,N-diethyl-2,4-dioxo-1,3,7-triazaspiro[4.4]nonane-7-carboxamide
CID 78996102
(5S,8R)-8-propan-2-yl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 177290980
8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098568
8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098593

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione?
The IUPAC name of 2-(2-methylpropyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione (CID 147382096) is 2-(2-methylpropyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione.
What is the SMILES notation for 2-(2-methylpropyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione?
The canonical SMILES for 2-(2-methylpropyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione is CC(C)CN1CC2(C1)NC(=O)NC2=O.
What is the InChIKey of 2-(2-methylpropyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione?
The InChIKey is DLEGQXJJFLQGTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(2)3-12-4-9(5-12)7(13)10-8(14)11-9/h6H,3-5H2,1-2H3,(H2,10,11,13,14).
What are the key properties of 2-(2-methylpropyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione?
2-(2-methylpropyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione has a molecular weight of 197.24 g/mol, XLogP of -0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-2,5,7-triazaspiro[3.4]octane-6,8-dione is sourced from PubChem (CID 147382096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).