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

C9H15N3O2 — CID 71873198

IUPAC3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCC(C)N1C(=O)NC2(CCNC2)C1=O
InChIInChI=1S/C9H15N3O2/c1-6(2)12-7(13)9(11-8(12)14)3-4-10-5-9/h6,10H,3-5H2,1-2H3,(H,11,14)
InChIKeyJBVRTLYCOCUHJM-UHFFFAOYSA-N
MW197.24 g/mol
LogP-0.32
Rot. Bonds1

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

3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (PubChem CID 71873198) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
PubChem CID71873198
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione
SMILESCC(C)N1C(=O)NC2(CCNC2)C1=O
InChIInChI=1S/C9H15N3O2/c1-6(2)12-7(13)9(11-8(12)14)3-4-10-5-9/h6,10H,3-5H2,1-2H3,(H,11,14)
InChIKeyJBVRTLYCOCUHJM-UHFFFAOYSA-N
XLogP-0.32
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
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 3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione (CID 71873198) is 3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is CC(C)N1C(=O)NC2(CCNC2)C1=O.
What is the InChIKey of 3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
The InChIKey is JBVRTLYCOCUHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(2)12-7(13)9(11-8(12)14)3-4-10-5-9/h6,10H,3-5H2,1-2H3,(H,11,14).
What are the key properties of 3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione?
3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione has a molecular weight of 197.24 g/mol, XLogP of -0.32, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-1,3,7-triazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 71873198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).