spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopentane]-3-carboxylic acid

C12H16N2O2 — CID 141401711

IUPACspiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopentane]-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CCC1(CCCC1)C2
InChIInChI=1S/C12H16N2O2/c15-11(16)10-8-3-6-12(4-1-2-5-12)7-9(8)13-14-10/h1-7H2,(H,13,14)(H,15,16)
InChIKeyVRAMAKAIZNTYSF-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.16
Rot. Bonds1

About spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopentane]-3-carboxylic acid

spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopentane]-3-carboxylic acid (PubChem CID 141401711) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopentane]-3-carboxylic acid.

Molecular Properties

Compound Namespiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopentane]-3-carboxylic acid
PubChem CID141401711
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Namespiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopentane]-3-carboxylic acid
SMILESO=C(O)c1n[nH]c2c1CCC1(CCCC1)C2
InChIInChI=1S/C12H16N2O2/c15-11(16)10-8-3-6-12(4-1-2-5-12)7-9(8)13-14-10/h1-7H2,(H,13,14)(H,15,16)
InChIKeyVRAMAKAIZNTYSF-UHFFFAOYSA-N
XLogP2.16
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopentane]-3-carboxylic acid?
The IUPAC name of spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopentane]-3-carboxylic acid (CID 141401711) is spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopentane]-3-carboxylic acid.
What is the SMILES notation for spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopentane]-3-carboxylic acid?
The canonical SMILES for spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopentane]-3-carboxylic acid is O=C(O)c1n[nH]c2c1CCC1(CCCC1)C2.
What is the InChIKey of spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopentane]-3-carboxylic acid?
The InChIKey is VRAMAKAIZNTYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c15-11(16)10-8-3-6-12(4-1-2-5-12)7-9(8)13-14-10/h1-7H2,(H,13,14)(H,15,16).
What are the key properties of spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopentane]-3-carboxylic acid?
spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopentane]-3-carboxylic acid has a molecular weight of 220.27 g/mol, XLogP of 2.16, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,4,5,7-tetrahydroindazole-6,1'-cyclopentane]-3-carboxylic acid is sourced from PubChem (CID 141401711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).