7-prop-1-en-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C9H13N3O2 — CID 70217379

IUPAC7-prop-1-en-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESC=C(C)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C9H13N3O2/c1-6(2)12-4-3-9(5-12)7(13)10-8(14)11-9/h1,3-5H2,2H3,(H2,10,11,13,14)
InChIKeyLNLTUDLCXVPZME-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.20
Rot. Bonds1

About 7-prop-1-en-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-prop-1-en-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 70217379) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 7-prop-1-en-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-prop-1-en-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID70217379
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name7-prop-1-en-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESC=C(C)N1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C9H13N3O2/c1-6(2)12-4-3-9(5-12)7(13)10-8(14)11-9/h1,3-5H2,2H3,(H2,10,11,13,14)
InChIKeyLNLTUDLCXVPZME-UHFFFAOYSA-N
XLogP-0.20
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-prop-1-en-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(Propan-2-yl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 71873198
3-Methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 71700307
5-Methyl-5-(2-pyrrolidin-1-ylethyl)imidazolidine-2,4-dione;hydrobromide
CID 54610092
7-Propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 61978691
7-Methyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 62975449
7-(2-Methylpropyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 68071461
7-Ethyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 68090687
7-Butan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 70215240
8-Prop-1-en-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 70217596
7-(2-Methylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996235
7-Acetyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996241
7-(2,2-Dimethylpropanoyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione
CID 78996253

Frequently Asked Questions

What is the IUPAC name of 7-prop-1-en-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-prop-1-en-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 70217379) is 7-prop-1-en-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-prop-1-en-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-prop-1-en-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is C=C(C)N1CCC2(C1)NC(=O)NC2=O.
What is the InChIKey of 7-prop-1-en-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is LNLTUDLCXVPZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-6(2)12-4-3-9(5-12)7(13)10-8(14)11-9/h1,3-5H2,2H3,(H2,10,11,13,14).
What are the key properties of 7-prop-1-en-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-prop-1-en-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 195.22 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-prop-1-en-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 70217379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).