3-[[1-(4-oxochromene-2-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

C17H14N2O6 — CID 119105352

IUPAC3-[[1-(4-oxochromene-2-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C17H14N2O6/c20-12-5-14(25-13-4-2-1-3-11(12)13)16(22)18-6-10(7-18)8-19-15(21)9-24-17(19)23/h1-5,10H,6-9H2
InChIKeyKTVOTBODQDCFQR-UHFFFAOYSA-N
MW342.31 g/mol
LogP0.84
Rot. Bonds3

About 3-[[1-(4-oxochromene-2-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione

3-[[1-(4-oxochromene-2-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (PubChem CID 119105352) has the molecular formula C17H14N2O6 and a molecular weight of 342.31 g/mol. Its IUPAC name is 3-[[1-(4-oxochromene-2-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(4-oxochromene-2-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
PubChem CID119105352
Molecular FormulaC17H14N2O6
Molecular Weight342.31 g/mol
Exact Mass342.09
IUPAC Name3-[[1-(4-oxochromene-2-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
SMILESO=C(c1cc(=O)c2ccccc2o1)N1CC(CN2C(=O)COC2=O)C1
InChIInChI=1S/C17H14N2O6/c20-12-5-14(25-13-4-2-1-3-11(12)13)16(22)18-6-10(7-18)8-19-15(21)9-24-17(19)23/h1-5,10H,6-9H2
InChIKeyKTVOTBODQDCFQR-UHFFFAOYSA-N
XLogP0.84
TPSA97.13 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[1-(4-oxochromene-2-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione with MolForge

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Related Compounds

2-(3-amino-5-methylpiperidine-1-carbonyl)chromen-4-one
CID 79990732
3-[[1-(3-methylbenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 122274940
3-[[1-(4-bromobenzoyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 121022578
2-(thiomorpholine-4-carbonyl)chromen-4-one
CID 22107022
2-[(3R,4R)-3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]chromen-4-one
CID 96512747
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
3-[[1-[4-(trifluoromethyl)benzoyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 121022571
2-[3-(1H-pyrazol-5-ylmethyl)piperidine-1-carbonyl]chromen-4-one
CID 110106509
2-[3-(pyridin-3-ylmethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 166615463
3-[[1-[2-(4-bromophenyl)acetyl]azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione
CID 119105359
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115966240
2-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115969507

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(4-oxochromene-2-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 3-[[1-(4-oxochromene-2-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione (CID 119105352) is 3-[[1-(4-oxochromene-2-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-(4-oxochromene-2-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 3-[[1-(4-oxochromene-2-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is O=C(c1cc(=O)c2ccccc2o1)N1CC(CN2C(=O)COC2=O)C1.
What is the InChIKey of 3-[[1-(4-oxochromene-2-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
The InChIKey is KTVOTBODQDCFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O6/c20-12-5-14(25-13-4-2-1-3-11(12)13)16(22)18-6-10(7-18)8-19-15(21)9-24-17(19)23/h1-5,10H,6-9H2.
What are the key properties of 3-[[1-(4-oxochromene-2-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione?
3-[[1-(4-oxochromene-2-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 342.31 g/mol, XLogP of 0.84, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(4-oxochromene-2-carbonyl)azetidin-3-yl]methyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 119105352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).