4-hydroxyspiro[6,7-dihydro-1H-indazole-5,1'-cyclopropane]-4-carboxylic acid

C10H12N2O3 — CID 112716181

IUPAC4-hydroxyspiro[6,7-dihydro-1H-indazole-5,1'-cyclopropane]-4-carboxylic acid
SMILESO=C(O)C1(O)c2cn[nH]c2CCC12CC2
InChIInChI=1S/C10H12N2O3/c13-8(14)10(15)6-5-11-12-7(6)1-2-9(10)3-4-9/h5,15H,1-4H2,(H,11,12)(H,13,14)
InChIKeyXXIQIEBJRGZLOL-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.41
Rot. Bonds1

About 4-hydroxyspiro[6,7-dihydro-1H-indazole-5,1'-cyclopropane]-4-carboxylic acid

4-hydroxyspiro[6,7-dihydro-1H-indazole-5,1'-cyclopropane]-4-carboxylic acid (PubChem CID 112716181) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 4-hydroxyspiro[6,7-dihydro-1H-indazole-5,1'-cyclopropane]-4-carboxylic acid.

Molecular Properties

Compound Name4-hydroxyspiro[6,7-dihydro-1H-indazole-5,1'-cyclopropane]-4-carboxylic acid
PubChem CID112716181
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name4-hydroxyspiro[6,7-dihydro-1H-indazole-5,1'-cyclopropane]-4-carboxylic acid
SMILESO=C(O)C1(O)c2cn[nH]c2CCC12CC2
InChIInChI=1S/C10H12N2O3/c13-8(14)10(15)6-5-11-12-7(6)1-2-9(10)3-4-9/h5,15H,1-4H2,(H,11,12)(H,13,14)
InChIKeyXXIQIEBJRGZLOL-UHFFFAOYSA-N
XLogP0.41
TPSA86.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Spiro[1,4,6,7-tetrahydroindazole-5,1'-cyclopropane]-4-carboxylic acid
CID 82402824
7-Hydroxy-1,4,5,6-tetrahydroindazole-7-carboxylic acid
CID 82407998
6,6-Dimethyl-1,4,5,7-tetrahydroindazole-4-carboxylic acid
CID 83862101
4-Hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83906645
2-(4-Hydroxy-1,5,6,7-tetrahydroindazol-4-yl)acetic acid
CID 83907956
4-Hydroxy-3-methyl-2,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83907960
3-Ethyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83909534
3-Cyclopropyl-4-hydroxy-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83910741
4-Hydroxy-3-propan-2-yl-1,5,6,7-tetrahydroindazole-4-carboxylic acid
CID 83911043
Spiro[1,5,6,7-tetrahydroindazole-4,1'-cyclopropane]-5-carboxylic acid
CID 112488798
5-Methyl-4,5,6,7-tetrahydro-1H-indazole-4-carboxylic acid
CID 112714672
Spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopropane]-7-carboxylic acid
CID 112715028

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyspiro[6,7-dihydro-1H-indazole-5,1'-cyclopropane]-4-carboxylic acid?
The IUPAC name of 4-hydroxyspiro[6,7-dihydro-1H-indazole-5,1'-cyclopropane]-4-carboxylic acid (CID 112716181) is 4-hydroxyspiro[6,7-dihydro-1H-indazole-5,1'-cyclopropane]-4-carboxylic acid.
What is the SMILES notation for 4-hydroxyspiro[6,7-dihydro-1H-indazole-5,1'-cyclopropane]-4-carboxylic acid?
The canonical SMILES for 4-hydroxyspiro[6,7-dihydro-1H-indazole-5,1'-cyclopropane]-4-carboxylic acid is O=C(O)C1(O)c2cn[nH]c2CCC12CC2.
What is the InChIKey of 4-hydroxyspiro[6,7-dihydro-1H-indazole-5,1'-cyclopropane]-4-carboxylic acid?
The InChIKey is XXIQIEBJRGZLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c13-8(14)10(15)6-5-11-12-7(6)1-2-9(10)3-4-9/h5,15H,1-4H2,(H,11,12)(H,13,14).
What are the key properties of 4-hydroxyspiro[6,7-dihydro-1H-indazole-5,1'-cyclopropane]-4-carboxylic acid?
4-hydroxyspiro[6,7-dihydro-1H-indazole-5,1'-cyclopropane]-4-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.41, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyspiro[6,7-dihydro-1H-indazole-5,1'-cyclopropane]-4-carboxylic acid is sourced from PubChem (CID 112716181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).