2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid

C15H17NO3 — CID 68981311

IUPAC2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid
SMILESO=C(O)CN1CCC2(C=Cc3ccccc3O2)CC1
InChIInChI=1S/C15H17NO3/c17-14(18)11-16-9-7-15(8-10-16)6-5-12-3-1-2-4-13(12)19-15/h1-6H,7-11H2,(H,17,18)
InChIKeyPYHHTBDPMRZULJ-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.01
Rot. Bonds2

About 2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid

2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid (PubChem CID 68981311) has the molecular formula C15H17NO3 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid.

Molecular Properties

Compound Name2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid
PubChem CID68981311
Molecular FormulaC15H17NO3
Molecular Weight259.31 g/mol
Exact Mass259.12
IUPAC Name2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid
SMILESO=C(O)CN1CCC2(C=Cc3ccccc3O2)CC1
InChIInChI=1S/C15H17NO3/c17-14(18)11-16-9-7-15(8-10-16)6-5-12-3-1-2-4-13(12)19-15/h1-6H,7-11H2,(H,17,18)
InChIKeyPYHHTBDPMRZULJ-UHFFFAOYSA-N
XLogP2.01
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid?
The IUPAC name of 2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid (CID 68981311) is 2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid.
What is the SMILES notation for 2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid?
The canonical SMILES for 2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid is O=C(O)CN1CCC2(C=Cc3ccccc3O2)CC1.
What is the InChIKey of 2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid?
The InChIKey is PYHHTBDPMRZULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO3/c17-14(18)11-16-9-7-15(8-10-16)6-5-12-3-1-2-4-13(12)19-15/h1-6H,7-11H2,(H,17,18).
What are the key properties of 2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid?
2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid has a molecular weight of 259.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-spiro[chromene-2,4'-piperidine]-1'-ylacetic acid is sourced from PubChem (CID 68981311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).