1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxylic acid;hydrochloride

C13H14ClNO4 — CID 11529301

IUPAC1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxylic acid;hydrochloride
SMILESCl.O=C1OC2(CCC(C(=O)O)CC2)c2cnccc21
InChIInChI=1S/C13H13NO4.ClH/c15-11(16)8-1-4-13(5-2-8)10-7-14-6-3-9(10)12(17)18-13;/h3,6-8H,1-2,4-5H2,(H,15,16);1H
InChIKeyJVGGFVSBJLVKCS-UHFFFAOYSA-N
MW283.71 g/mol
LogP2.14
Rot. Bonds1

About 1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxylic acid;hydrochloride

1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxylic acid;hydrochloride (PubChem CID 11529301) has the molecular formula C13H14ClNO4 and a molecular weight of 283.71 g/mol. Its IUPAC name is 1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxylic acid;hydrochloride
PubChem CID11529301
Molecular FormulaC13H14ClNO4
Molecular Weight283.71 g/mol
Exact Mass283.06
IUPAC Name1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxylic acid;hydrochloride
SMILESCl.O=C1OC2(CCC(C(=O)O)CC2)c2cnccc21
InChIInChI=1S/C13H13NO4.ClH/c15-11(16)8-1-4-13(5-2-8)10-7-14-6-3-9(10)12(17)18-13;/h3,6-8H,1-2,4-5H2,(H,15,16);1H
InChIKeyJVGGFVSBJLVKCS-UHFFFAOYSA-N
XLogP2.14
TPSA76.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.71
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxylic acid;hydrochloride?
The IUPAC name of 1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxylic acid;hydrochloride (CID 11529301) is 1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxylic acid;hydrochloride.
What is the SMILES notation for 1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxylic acid;hydrochloride?
The canonical SMILES for 1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxylic acid;hydrochloride is Cl.O=C1OC2(CCC(C(=O)O)CC2)c2cnccc21.
What is the InChIKey of 1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxylic acid;hydrochloride?
The InChIKey is JVGGFVSBJLVKCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4.ClH/c15-11(16)8-1-4-13(5-2-8)10-7-14-6-3-9(10)12(17)18-13;/h3,6-8H,1-2,4-5H2,(H,15,16);1H.
What are the key properties of 1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxylic acid;hydrochloride?
1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxylic acid;hydrochloride has a molecular weight of 283.71 g/mol, XLogP of 2.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-oxospiro[cyclohexane-4,3'-furo[3,4-c]pyridine]-1-carboxylic acid;hydrochloride is sourced from PubChem (CID 11529301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).