6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one

C12H13NO3 — CID 121207107

IUPAC6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one
SMILESCOc1ccc2c(c1)C(=O)CC1(CNC1)O2
InChIInChI=1S/C12H13NO3/c1-15-8-2-3-11-9(4-8)10(14)5-12(16-11)6-13-7-12/h2-4,13H,5-7H2,1H3
InChIKeyOLVFPHPAVKWYSL-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.00
Rot. Bonds1

About 6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one

6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one (PubChem CID 121207107) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one.

Molecular Properties

Compound Name6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one
PubChem CID121207107
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one
SMILESCOc1ccc2c(c1)C(=O)CC1(CNC1)O2
InChIInChI=1S/C12H13NO3/c1-15-8-2-3-11-9(4-8)10(14)5-12(16-11)6-13-7-12/h2-4,13H,5-7H2,1H3
InChIKeyOLVFPHPAVKWYSL-UHFFFAOYSA-N
XLogP1.00
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one?
The IUPAC name of 6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one (CID 121207107) is 6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one.
What is the SMILES notation for 6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one?
The canonical SMILES for 6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one is COc1ccc2c(c1)C(=O)CC1(CNC1)O2.
What is the InChIKey of 6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one?
The InChIKey is OLVFPHPAVKWYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-15-8-2-3-11-9(4-8)10(14)5-12(16-11)6-13-7-12/h2-4,13H,5-7H2,1H3.
What are the key properties of 6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one?
6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one has a molecular weight of 219.24 g/mol, XLogP of 1.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxyspiro[3H-chromene-2,3'-azetidine]-4-one is sourced from PubChem (CID 121207107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).