tert-butyl 3-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)azetidine-1-carboxylate

C18H23NO5 — CID 121301333

IUPACtert-butyl 3-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)azetidine-1-carboxylate
SMILESCOc1ccc2c(c1)OC(C1CN(C(=O)OC(C)(C)C)C1)CC2=O
InChIInChI=1S/C18H23NO5/c1-18(2,3)24-17(21)19-9-11(10-19)15-8-14(20)13-6-5-12(22-4)7-16(13)23-15/h5-7,11,15H,8-10H2,1-4H3
InChIKeyGWIWTBIJWRIPDV-UHFFFAOYSA-N
MW333.38 g/mol
LogP2.90
Rot. Bonds2

About tert-butyl 3-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)azetidine-1-carboxylate

tert-butyl 3-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)azetidine-1-carboxylate (PubChem CID 121301333) has the molecular formula C18H23NO5 and a molecular weight of 333.38 g/mol. Its IUPAC name is tert-butyl 3-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)azetidine-1-carboxylate
PubChem CID121301333
Molecular FormulaC18H23NO5
Molecular Weight333.38 g/mol
Exact Mass333.16
IUPAC Nametert-butyl 3-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)azetidine-1-carboxylate
SMILESCOc1ccc2c(c1)OC(C1CN(C(=O)OC(C)(C)C)C1)CC2=O
InChIInChI=1S/C18H23NO5/c1-18(2,3)24-17(21)19-9-11(10-19)15-8-14(20)13-6-5-12(22-4)7-16(13)23-15/h5-7,11,15H,8-10H2,1-4H3
InChIKeyGWIWTBIJWRIPDV-UHFFFAOYSA-N
XLogP2.90
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze tert-butyl 3-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)azetidine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl (2R)-7-methoxy-4-oxospiro[3H-chromene-2,3'-pyrrolidine]-1'-carboxylate
CID 125451881
(2S)-7-methoxy-2-methyl-2,3-dihydrochromen-4-one
CID 40595579
methyl (2R)-7-methoxy-4-oxo-2,3-dihydrochromene-2-carboxylate
CID 142736946
tert-butyl 3-(3-methoxyphenyl)azetidine-1-carboxylate
CID 171716686
4-[(2R)-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]benzoic acid
CID 93179406
tert-butyl (1S,9bR)-8-methoxy-1,9b-dimethyl-5-oxo-1,2-dihydrobenzo[e]indole-3-carboxylate
CID 166685528
tert-butyl 3-[(7-methoxy-2-oxoquinolin-1-yl)methyl]azetidine-1-carboxylate
CID 67130938
tert-butyl 13-methoxy-4-azatricyclo[8.4.0.02,6]tetradeca-1(10),11,13-triene-4-carboxylate
CID 172803382
3-fluoro-4-[3-(6-methoxy-4-oxo-2,3-dihydrochromen-2-yl)piperidine-1-carbonyl]benzamide
CID 110236981
2-(3,5-dimethylphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 114672605
tert-butyl 2-[7-[(2-methylpropan-2-yl)oxy]-9-oxofluoren-2-yl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 57439873
2-(3,5-dihydroxy-4-methoxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one
CID 73299305

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)azetidine-1-carboxylate (CID 121301333) is tert-butyl 3-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)azetidine-1-carboxylate is COc1ccc2c(c1)OC(C1CN(C(=O)OC(C)(C)C)C1)CC2=O.
What is the InChIKey of tert-butyl 3-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)azetidine-1-carboxylate?
The InChIKey is GWIWTBIJWRIPDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO5/c1-18(2,3)24-17(21)19-9-11(10-19)15-8-14(20)13-6-5-12(22-4)7-16(13)23-15/h5-7,11,15H,8-10H2,1-4H3.
What are the key properties of tert-butyl 3-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)azetidine-1-carboxylate?
tert-butyl 3-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)azetidine-1-carboxylate has a molecular weight of 333.38 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(7-methoxy-4-oxo-2,3-dihydrochromen-2-yl)azetidine-1-carboxylate is sourced from PubChem (CID 121301333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).