3-ethylspiro[5,7-dihydro-1H-indazole-6,4'-oxane]-4-one

C13H18N2O2 — CID 135122456

IUPAC3-ethylspiro[5,7-dihydro-1H-indazole-6,4'-oxane]-4-one
SMILESCCc1n[nH]c2c1C(=O)CC1(CCOCC1)C2
InChIInChI=1S/C13H18N2O2/c1-2-9-12-10(15-14-9)7-13(8-11(12)16)3-5-17-6-4-13/h2-8H2,1H3,(H,14,15)
InChIKeyPRNSRLDFCKRWJY-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.90
Rot. Bonds1

About 3-ethylspiro[5,7-dihydro-1H-indazole-6,4'-oxane]-4-one

3-ethylspiro[5,7-dihydro-1H-indazole-6,4'-oxane]-4-one (PubChem CID 135122456) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-ethylspiro[5,7-dihydro-1H-indazole-6,4'-oxane]-4-one.

Molecular Properties

Compound Name3-ethylspiro[5,7-dihydro-1H-indazole-6,4'-oxane]-4-one
PubChem CID135122456
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-ethylspiro[5,7-dihydro-1H-indazole-6,4'-oxane]-4-one
SMILESCCc1n[nH]c2c1C(=O)CC1(CCOCC1)C2
InChIInChI=1S/C13H18N2O2/c1-2-9-12-10(15-14-9)7-13(8-11(12)16)3-5-17-6-4-13/h2-8H2,1H3,(H,14,15)
InChIKeyPRNSRLDFCKRWJY-UHFFFAOYSA-N
XLogP1.90
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-ethylspiro[5,7-dihydro-1H-indazole-6,4'-oxane]-4-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-ethylspiro[5,7-dihydro-1H-indazole-6,4'-oxane]-4-one?
The IUPAC name of 3-ethylspiro[5,7-dihydro-1H-indazole-6,4'-oxane]-4-one (CID 135122456) is 3-ethylspiro[5,7-dihydro-1H-indazole-6,4'-oxane]-4-one.
What is the SMILES notation for 3-ethylspiro[5,7-dihydro-1H-indazole-6,4'-oxane]-4-one?
The canonical SMILES for 3-ethylspiro[5,7-dihydro-1H-indazole-6,4'-oxane]-4-one is CCc1n[nH]c2c1C(=O)CC1(CCOCC1)C2.
What is the InChIKey of 3-ethylspiro[5,7-dihydro-1H-indazole-6,4'-oxane]-4-one?
The InChIKey is PRNSRLDFCKRWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-2-9-12-10(15-14-9)7-13(8-11(12)16)3-5-17-6-4-13/h2-8H2,1H3,(H,14,15).
What are the key properties of 3-ethylspiro[5,7-dihydro-1H-indazole-6,4'-oxane]-4-one?
3-ethylspiro[5,7-dihydro-1H-indazole-6,4'-oxane]-4-one has a molecular weight of 234.30 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylspiro[5,7-dihydro-1H-indazole-6,4'-oxane]-4-one is sourced from PubChem (CID 135122456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).