7-propyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

C9H15N3O2 — CID 131100972

IUPAC7-propyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCCCN1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C9H15N3O2/c1-2-4-12-5-3-9(6-12)7(13)10-8(14)11-9/h2-6H2,1H3,(H2,10,11,13,14)
InChIKeyNMVFYIQQXNZJAA-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.32
Rot. Bonds2

About 7-propyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione

7-propyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 131100972) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 7-propyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name7-propyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID131100972
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name7-propyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCCCN1CCC2(C1)NC(=O)NC2=O
InChIInChI=1S/C9H15N3O2/c1-2-4-12-5-3-9(6-12)7(13)10-8(14)11-9/h2-6H2,1H3,(H2,10,11,13,14)
InChIKeyNMVFYIQQXNZJAA-UHFFFAOYSA-N
XLogP-0.32
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 ≤ 5-0.32
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 7-propyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 7-propyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 131100972) is 7-propyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 7-propyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 7-propyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CCCN1CCC2(C1)NC(=O)NC2=O.
What is the InChIKey of 7-propyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is NMVFYIQQXNZJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-4-12-5-3-9(6-12)7(13)10-8(14)11-9/h2-6H2,1H3,(H2,10,11,13,14).
What are the key properties of 7-propyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
7-propyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of -0.32, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propyl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 131100972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).