6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid

C15H17NO5 — CID 67468525

IUPAC6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
SMILESCOc1ccc2c(c1)C(=O)CC1(CCN(C(=O)O)CC1)O2
InChIInChI=1S/C15H17NO5/c1-20-10-2-3-13-11(8-10)12(17)9-15(21-13)4-6-16(7-5-15)14(18)19/h2-3,8H,4-7,9H2,1H3,(H,18,19)
InChIKeyAWEMAXBSVJCZNT-UHFFFAOYSA-N
MW291.30 g/mol
LogP2.17
Rot. Bonds1

About 6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid

6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid (PubChem CID 67468525) has the molecular formula C15H17NO5 and a molecular weight of 291.30 g/mol. Its IUPAC name is 6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid.

Molecular Properties

Compound Name6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
PubChem CID67468525
Molecular FormulaC15H17NO5
Molecular Weight291.30 g/mol
Exact Mass291.11
IUPAC Name6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid
SMILESCOc1ccc2c(c1)C(=O)CC1(CCN(C(=O)O)CC1)O2
InChIInChI=1S/C15H17NO5/c1-20-10-2-3-13-11(8-10)12(17)9-15(21-13)4-6-16(7-5-15)14(18)19/h2-3,8H,4-7,9H2,1H3,(H,18,19)
InChIKeyAWEMAXBSVJCZNT-UHFFFAOYSA-N
XLogP2.17
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.30
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid?
The IUPAC name of 6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid (CID 67468525) is 6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid.
What is the SMILES notation for 6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid?
The canonical SMILES for 6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid is COc1ccc2c(c1)C(=O)CC1(CCN(C(=O)O)CC1)O2.
What is the InChIKey of 6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid?
The InChIKey is AWEMAXBSVJCZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO5/c1-20-10-2-3-13-11(8-10)12(17)9-15(21-13)4-6-16(7-5-15)14(18)19/h2-3,8H,4-7,9H2,1H3,(H,18,19).
What are the key properties of 6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid?
6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid has a molecular weight of 291.30 g/mol, XLogP of 2.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylic acid is sourced from PubChem (CID 67468525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).