methyl 6'-methylspiro[azetidine-3,2'-chromene]-7'-carboxylate

C14H15NO3 — CID 169103676

IUPACmethyl 6'-methylspiro[azetidine-3,2'-chromene]-7'-carboxylate
SMILESCOC(=O)c1cc2c(cc1C)C=CC1(CNC1)O2
InChIInChI=1S/C14H15NO3/c1-9-5-10-3-4-14(7-15-8-14)18-12(10)6-11(9)13(16)17-2/h3-6,15H,7-8H2,1-2H3
InChIKeyCASCIYQEPQGZFJ-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.53
Rot. Bonds1

About methyl 6'-methylspiro[azetidine-3,2'-chromene]-7'-carboxylate

methyl 6'-methylspiro[azetidine-3,2'-chromene]-7'-carboxylate (PubChem CID 169103676) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 6'-methylspiro[azetidine-3,2'-chromene]-7'-carboxylate.

Molecular Properties

Compound Namemethyl 6'-methylspiro[azetidine-3,2'-chromene]-7'-carboxylate
PubChem CID169103676
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 6'-methylspiro[azetidine-3,2'-chromene]-7'-carboxylate
SMILESCOC(=O)c1cc2c(cc1C)C=CC1(CNC1)O2
InChIInChI=1S/C14H15NO3/c1-9-5-10-3-4-14(7-15-8-14)18-12(10)6-11(9)13(16)17-2/h3-6,15H,7-8H2,1-2H3
InChIKeyCASCIYQEPQGZFJ-UHFFFAOYSA-N
XLogP1.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 6'-methylspiro[azetidine-3,2'-chromene]-7'-carboxylate?
The IUPAC name of methyl 6'-methylspiro[azetidine-3,2'-chromene]-7'-carboxylate (CID 169103676) is methyl 6'-methylspiro[azetidine-3,2'-chromene]-7'-carboxylate.
What is the SMILES notation for methyl 6'-methylspiro[azetidine-3,2'-chromene]-7'-carboxylate?
The canonical SMILES for methyl 6'-methylspiro[azetidine-3,2'-chromene]-7'-carboxylate is COC(=O)c1cc2c(cc1C)C=CC1(CNC1)O2.
What is the InChIKey of methyl 6'-methylspiro[azetidine-3,2'-chromene]-7'-carboxylate?
The InChIKey is CASCIYQEPQGZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-5-10-3-4-14(7-15-8-14)18-12(10)6-11(9)13(16)17-2/h3-6,15H,7-8H2,1-2H3.
What are the key properties of methyl 6'-methylspiro[azetidine-3,2'-chromene]-7'-carboxylate?
methyl 6'-methylspiro[azetidine-3,2'-chromene]-7'-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6'-methylspiro[azetidine-3,2'-chromene]-7'-carboxylate is sourced from PubChem (CID 169103676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).