4a,5,5a,6-tetrahydrocyclopropa[f]indazole-3-carboxylic acid

C9H8N2O2 — CID 141444919

IUPAC4a,5,5a,6-tetrahydrocyclopropa[f]indazole-3-carboxylic acid
SMILESO=C(O)C1=NN=C2CC3CC3C=C21
InChIInChI=1S/C9H8N2O2/c12-9(13)8-6-2-4-1-5(4)3-7(6)10-11-8/h2,4-5H,1,3H2,(H,12,13)
InChIKeyVWWQDPUZCSNZJW-UHFFFAOYSA-N
MW176.17 g/mol
LogP0.85
Rot. Bonds1

About 4a,5,5a,6-tetrahydrocyclopropa[f]indazole-3-carboxylic acid

4a,5,5a,6-tetrahydrocyclopropa[f]indazole-3-carboxylic acid (PubChem CID 141444919) has the molecular formula C9H8N2O2 and a molecular weight of 176.17 g/mol. Its IUPAC name is 4a,5,5a,6-tetrahydrocyclopropa[f]indazole-3-carboxylic acid.

Molecular Properties

Compound Name4a,5,5a,6-tetrahydrocyclopropa[f]indazole-3-carboxylic acid
PubChem CID141444919
Molecular FormulaC9H8N2O2
Molecular Weight176.17 g/mol
Exact Mass176.06
IUPAC Name4a,5,5a,6-tetrahydrocyclopropa[f]indazole-3-carboxylic acid
SMILESO=C(O)C1=NN=C2CC3CC3C=C21
InChIInChI=1S/C9H8N2O2/c12-9(13)8-6-2-4-1-5(4)3-7(6)10-11-8/h2,4-5H,1,3H2,(H,12,13)
InChIKeyVWWQDPUZCSNZJW-UHFFFAOYSA-N
XLogP0.85
TPSA62.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4a,5,5a,6-tetrahydrocyclopropa[f]indazole-3-carboxylic acid?
The IUPAC name of 4a,5,5a,6-tetrahydrocyclopropa[f]indazole-3-carboxylic acid (CID 141444919) is 4a,5,5a,6-tetrahydrocyclopropa[f]indazole-3-carboxylic acid.
What is the SMILES notation for 4a,5,5a,6-tetrahydrocyclopropa[f]indazole-3-carboxylic acid?
The canonical SMILES for 4a,5,5a,6-tetrahydrocyclopropa[f]indazole-3-carboxylic acid is O=C(O)C1=NN=C2CC3CC3C=C21.
What is the InChIKey of 4a,5,5a,6-tetrahydrocyclopropa[f]indazole-3-carboxylic acid?
The InChIKey is VWWQDPUZCSNZJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O2/c12-9(13)8-6-2-4-1-5(4)3-7(6)10-11-8/h2,4-5H,1,3H2,(H,12,13).
What are the key properties of 4a,5,5a,6-tetrahydrocyclopropa[f]indazole-3-carboxylic acid?
4a,5,5a,6-tetrahydrocyclopropa[f]indazole-3-carboxylic acid has a molecular weight of 176.17 g/mol, XLogP of 0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,5,5a,6-tetrahydrocyclopropa[f]indazole-3-carboxylic acid is sourced from PubChem (CID 141444919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).