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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Related Compounds

methyl 7-hydroxy-2,2-dimethylchromene-6-carboxylate
CID 101088554
methyl 2,6-dimethyl-1,1-dioxo-2H-thiochromene-7-carboxylate
CID 19354724
methyl 4-(3,3-difluorocyclobutyl)-2,5-dimethylbenzoate
CID 126514851
methyl 5-methyl-1,1-dioxo-2,3-dihydro-1,3-benzothiazole-6-carboxylate
CID 19354789
ethyl 4-methyl-1H-pyrrole-3-carboxylate;methyl 4-methyl-1H-pyrrole-3-carboxylate
CID 70398310
methyl 4-ethoxy-2-methyl-5-methylsulfonylbenzoate
CID 15521418
methyl 5-[1-(1-aminoethyl)cyclopropyl]-2,4-dimethylbenzoate
CID 117371378
methyl 2,5-dimethyl-4-morpholin-2-ylbenzoate
CID 176562995
6-butoxyspiro[chromene-2,3'-pyrrolidine]
CID 82045979
methyl 4-cyclobutyl-5-(1,4,5,6,7,8-hexahydroimidazo[4,5-d]azepin-2-yl)-2-methylbenzoate;hydrochloride
CID 118250742
methyl 5-[1-(aminomethyl)cyclopropyl]-2,4-dimethylbenzoate
CID 117338392
methyl 4-hydroxy-2-methyl-5-propanoylbenzoate
CID 13315616

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).