1'-(hydroxymethyl)-6,7,8-trimethylspiro[3H-chromene-2,3'-azetidine]-4-one

C15H19NO3 — CID 170135718

IUPAC1'-(hydroxymethyl)-6,7,8-trimethylspiro[3H-chromene-2,3'-azetidine]-4-one
SMILESCc1cc2c(c(C)c1C)OC1(CC2=O)CN(CO)C1
InChIInChI=1S/C15H19NO3/c1-9-4-12-13(18)5-15(6-16(7-15)8-17)19-14(12)11(3)10(9)2/h4,17H,5-8H2,1-3H3
InChIKeyZZGRGEPKWRGGHP-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.58
Rot. Bonds1

About 1'-(hydroxymethyl)-6,7,8-trimethylspiro[3H-chromene-2,3'-azetidine]-4-one

1'-(hydroxymethyl)-6,7,8-trimethylspiro[3H-chromene-2,3'-azetidine]-4-one (PubChem CID 170135718) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 1'-(hydroxymethyl)-6,7,8-trimethylspiro[3H-chromene-2,3'-azetidine]-4-one.

Molecular Properties

Compound Name1'-(hydroxymethyl)-6,7,8-trimethylspiro[3H-chromene-2,3'-azetidine]-4-one
PubChem CID170135718
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name1'-(hydroxymethyl)-6,7,8-trimethylspiro[3H-chromene-2,3'-azetidine]-4-one
SMILESCc1cc2c(c(C)c1C)OC1(CC2=O)CN(CO)C1
InChIInChI=1S/C15H19NO3/c1-9-4-12-13(18)5-15(6-16(7-15)8-17)19-14(12)11(3)10(9)2/h4,17H,5-8H2,1-3H3
InChIKeyZZGRGEPKWRGGHP-UHFFFAOYSA-N
XLogP1.58
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1'-(hydroxymethyl)-6,7,8-trimethylspiro[3H-chromene-2,3'-azetidine]-4-one?
The IUPAC name of 1'-(hydroxymethyl)-6,7,8-trimethylspiro[3H-chromene-2,3'-azetidine]-4-one (CID 170135718) is 1'-(hydroxymethyl)-6,7,8-trimethylspiro[3H-chromene-2,3'-azetidine]-4-one.
What is the SMILES notation for 1'-(hydroxymethyl)-6,7,8-trimethylspiro[3H-chromene-2,3'-azetidine]-4-one?
The canonical SMILES for 1'-(hydroxymethyl)-6,7,8-trimethylspiro[3H-chromene-2,3'-azetidine]-4-one is Cc1cc2c(c(C)c1C)OC1(CC2=O)CN(CO)C1.
What is the InChIKey of 1'-(hydroxymethyl)-6,7,8-trimethylspiro[3H-chromene-2,3'-azetidine]-4-one?
The InChIKey is ZZGRGEPKWRGGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9-4-12-13(18)5-15(6-16(7-15)8-17)19-14(12)11(3)10(9)2/h4,17H,5-8H2,1-3H3.
What are the key properties of 1'-(hydroxymethyl)-6,7,8-trimethylspiro[3H-chromene-2,3'-azetidine]-4-one?
1'-(hydroxymethyl)-6,7,8-trimethylspiro[3H-chromene-2,3'-azetidine]-4-one has a molecular weight of 261.32 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(hydroxymethyl)-6,7,8-trimethylspiro[3H-chromene-2,3'-azetidine]-4-one is sourced from PubChem (CID 170135718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).