2-(1H-indazol-3-yl)-2-azaspiro[4.5]decane-1,3-dione

C16H17N3O2 — CID 62687846

IUPAC2-(1H-indazol-3-yl)-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1c1n[nH]c2ccccc12
InChIInChI=1S/C16H17N3O2/c20-13-10-16(8-4-1-5-9-16)15(21)19(13)14-11-6-2-3-7-12(11)17-18-14/h2-3,6-7H,1,4-5,8-10H2,(H,17,18)
InChIKeyRGIAJUPHPMODQT-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.78
Rot. Bonds1

About 2-(1H-indazol-3-yl)-2-azaspiro[4.5]decane-1,3-dione

2-(1H-indazol-3-yl)-2-azaspiro[4.5]decane-1,3-dione (PubChem CID 62687846) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(1H-indazol-3-yl)-2-azaspiro[4.5]decane-1,3-dione.

Molecular Properties

Compound Name2-(1H-indazol-3-yl)-2-azaspiro[4.5]decane-1,3-dione
PubChem CID62687846
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(1H-indazol-3-yl)-2-azaspiro[4.5]decane-1,3-dione
SMILESO=C1CC2(CCCCC2)C(=O)N1c1n[nH]c2ccccc12
InChIInChI=1S/C16H17N3O2/c20-13-10-16(8-4-1-5-9-16)15(21)19(13)14-11-6-2-3-7-12(11)17-18-14/h2-3,6-7H,1,4-5,8-10H2,(H,17,18)
InChIKeyRGIAJUPHPMODQT-UHFFFAOYSA-N
XLogP2.78
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indazol-3-yl)-2-azaspiro[4.5]decane-1,3-dione?
The IUPAC name of 2-(1H-indazol-3-yl)-2-azaspiro[4.5]decane-1,3-dione (CID 62687846) is 2-(1H-indazol-3-yl)-2-azaspiro[4.5]decane-1,3-dione.
What is the SMILES notation for 2-(1H-indazol-3-yl)-2-azaspiro[4.5]decane-1,3-dione?
The canonical SMILES for 2-(1H-indazol-3-yl)-2-azaspiro[4.5]decane-1,3-dione is O=C1CC2(CCCCC2)C(=O)N1c1n[nH]c2ccccc12.
What is the InChIKey of 2-(1H-indazol-3-yl)-2-azaspiro[4.5]decane-1,3-dione?
The InChIKey is RGIAJUPHPMODQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c20-13-10-16(8-4-1-5-9-16)15(21)19(13)14-11-6-2-3-7-12(11)17-18-14/h2-3,6-7H,1,4-5,8-10H2,(H,17,18).
What are the key properties of 2-(1H-indazol-3-yl)-2-azaspiro[4.5]decane-1,3-dione?
2-(1H-indazol-3-yl)-2-azaspiro[4.5]decane-1,3-dione has a molecular weight of 283.33 g/mol, XLogP of 2.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indazol-3-yl)-2-azaspiro[4.5]decane-1,3-dione is sourced from PubChem (CID 62687846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).