(2-oxopyrrolidin-1-yl) 2-[7-(azetidin-1-yl)-4-methyl-2-oxochromen-3-yl]acetate

C19H20N2O5 — CID 135134930

IUPAC(2-oxopyrrolidin-1-yl) 2-[7-(azetidin-1-yl)-4-methyl-2-oxochromen-3-yl]acetate
SMILESCc1c(CC(=O)ON2CCCC2=O)c(=O)oc2cc(N3CCC3)ccc12
InChIInChI=1S/C19H20N2O5/c1-12-14-6-5-13(20-7-3-8-20)10-16(14)25-19(24)15(12)11-18(23)26-21-9-2-4-17(21)22/h5-6,10H,2-4,7-9,11H2,1H3
InChIKeyVUSZGXFGDYRZMX-UHFFFAOYSA-N
MW356.38 g/mol
LogP1.93
Rot. Bonds4

About (2-oxopyrrolidin-1-yl) 2-[7-(azetidin-1-yl)-4-methyl-2-oxochromen-3-yl]acetate

(2-oxopyrrolidin-1-yl) 2-[7-(azetidin-1-yl)-4-methyl-2-oxochromen-3-yl]acetate (PubChem CID 135134930) has the molecular formula C19H20N2O5 and a molecular weight of 356.38 g/mol. Its IUPAC name is (2-oxopyrrolidin-1-yl) 2-[7-(azetidin-1-yl)-4-methyl-2-oxochromen-3-yl]acetate.

Molecular Properties

Compound Name(2-oxopyrrolidin-1-yl) 2-[7-(azetidin-1-yl)-4-methyl-2-oxochromen-3-yl]acetate
PubChem CID135134930
Molecular FormulaC19H20N2O5
Molecular Weight356.38 g/mol
Exact Mass356.14
IUPAC Name(2-oxopyrrolidin-1-yl) 2-[7-(azetidin-1-yl)-4-methyl-2-oxochromen-3-yl]acetate
SMILESCc1c(CC(=O)ON2CCCC2=O)c(=O)oc2cc(N3CCC3)ccc12
InChIInChI=1S/C19H20N2O5/c1-12-14-6-5-13(20-7-3-8-20)10-16(14)25-19(24)15(12)11-18(23)26-21-9-2-4-17(21)22/h5-6,10H,2-4,7-9,11H2,1H3
InChIKeyVUSZGXFGDYRZMX-UHFFFAOYSA-N
XLogP1.93
TPSA80.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

(2,5-dioxopyrrolidin-1-yl) 2-(7-isocyanato-4-methyl-2-oxochromen-3-yl)acetate
CID 169352986
methyl 2-(7-amino-4-methyl-2-oxochromen-3-yl)acetate
CID 86668467
methyl 2-[4-methyl-2-oxo-7-[(2R)-3-oxobutan-2-yl]oxychromen-3-yl]acetate
CID 906861
4-methyl-7-morpholin-4-yl-2-oxochromene-3-carboxylic acid
CID 58939664
(2,5-dioxopyrrolidin-1-yl) 2-[7-[(2-cyanoacetyl)amino]-4-methyl-2-oxochromen-3-yl]acetate
CID 168521162
methyl (2R)-2-[3-(2-methoxy-2-oxoethyl)-4-methyl-2-oxochromen-7-yl]oxypropanoate
CID 907412
methyl 2-(6-methyl-4-oxo-3-oxa-13-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2(7),5,8-tetraen-5-yl)acetate
CID 122429921
3-[7-(azetidin-1-yl)-4-methyl-2-oxochromen-3-yl]benzonitrile
CID 172878056
7-amino-4-methyl-3-(2-oxopropyl)chromen-2-one
CID 89185013
2-(7-hydroxy-4-methyl-2-oxochromen-3-yl)acetate
CID 6921838
(2,5-dioxopyrrolidin-1-yl) 2-[3-(4-bromophenyl)-5-methyl-7-oxofuro[3,2-g]chromen-6-yl]acetate
CID 122576690
7-(azetidin-1-yl)-4-methyl-3-[3-(6-methyl-1,2,4,5-tetrazin-3-yl)phenyl]chromen-2-one
CID 162405764

Frequently Asked Questions

What is the IUPAC name of (2-oxopyrrolidin-1-yl) 2-[7-(azetidin-1-yl)-4-methyl-2-oxochromen-3-yl]acetate?
The IUPAC name of (2-oxopyrrolidin-1-yl) 2-[7-(azetidin-1-yl)-4-methyl-2-oxochromen-3-yl]acetate (CID 135134930) is (2-oxopyrrolidin-1-yl) 2-[7-(azetidin-1-yl)-4-methyl-2-oxochromen-3-yl]acetate.
What is the SMILES notation for (2-oxopyrrolidin-1-yl) 2-[7-(azetidin-1-yl)-4-methyl-2-oxochromen-3-yl]acetate?
The canonical SMILES for (2-oxopyrrolidin-1-yl) 2-[7-(azetidin-1-yl)-4-methyl-2-oxochromen-3-yl]acetate is Cc1c(CC(=O)ON2CCCC2=O)c(=O)oc2cc(N3CCC3)ccc12.
What is the InChIKey of (2-oxopyrrolidin-1-yl) 2-[7-(azetidin-1-yl)-4-methyl-2-oxochromen-3-yl]acetate?
The InChIKey is VUSZGXFGDYRZMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5/c1-12-14-6-5-13(20-7-3-8-20)10-16(14)25-19(24)15(12)11-18(23)26-21-9-2-4-17(21)22/h5-6,10H,2-4,7-9,11H2,1H3.
What are the key properties of (2-oxopyrrolidin-1-yl) 2-[7-(azetidin-1-yl)-4-methyl-2-oxochromen-3-yl]acetate?
(2-oxopyrrolidin-1-yl) 2-[7-(azetidin-1-yl)-4-methyl-2-oxochromen-3-yl]acetate has a molecular weight of 356.38 g/mol, XLogP of 1.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxopyrrolidin-1-yl) 2-[7-(azetidin-1-yl)-4-methyl-2-oxochromen-3-yl]acetate is sourced from PubChem (CID 135134930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).