2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one

C20H17NO6 — CID 90628576

IUPAC2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
SMILESCc1cc(OC2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)cc(=O)o1
InChIInChI=1S/C20H17NO6/c1-12-8-14(9-19(23)25-12)26-13-6-7-21(11-13)20(24)18-10-16(22)15-4-2-3-5-17(15)27-18/h2-5,8-10,13H,6-7,11H2,1H3
InChIKeyRROVTRVCLHQJFR-UHFFFAOYSA-N
MW367.36 g/mol
LogP2.35
Rot. Bonds3

About 2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one

2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one (PubChem CID 90628576) has the molecular formula C20H17NO6 and a molecular weight of 367.36 g/mol. Its IUPAC name is 2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one.

Molecular Properties

Compound Name2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
PubChem CID90628576
Molecular FormulaC20H17NO6
Molecular Weight367.36 g/mol
Exact Mass367.11
IUPAC Name2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
SMILESCc1cc(OC2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)cc(=O)o1
InChIInChI=1S/C20H17NO6/c1-12-8-14(9-19(23)25-12)26-13-6-7-21(11-13)20(24)18-10-16(22)15-4-2-3-5-17(15)27-18/h2-5,8-10,13H,6-7,11H2,1H3
InChIKeyRROVTRVCLHQJFR-UHFFFAOYSA-N
XLogP2.35
TPSA89.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.36
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(6-methylpyridazin-3-yl)oxypyrrolidine-1-carbonyl]chromen-4-one
CID 90638745
2-(3-pyridin-4-yloxypiperidine-1-carbonyl)chromen-4-one
CID 122255813
2-(4-methylpiperidine-1-carbonyl)chromen-4-one
CID 26773752
2-[(3R)-3-(4-methoxyphenyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 93480787
6-methyl-4-[1-(quinoline-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
CID 90628747
6-methyl-4-[(3R)-1-(5-methylthiophene-2-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
CID 99877879
2-[(3R)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582758
2-[(3S)-3-ethoxypiperidine-1-carbonyl]chromen-4-one
CID 95582759
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115966240
2-[3-(1-aminoethyl)pyrrolidine-1-carbonyl]chromen-4-one
CID 115969507
(3R)-N-(2-methoxyphenyl)-3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carboxamide
CID 99877909
6-methyl-4-[(3S)-1-(1-methyl-3-phenylpyrazole-5-carbonyl)pyrrolidin-3-yl]oxypyran-2-one
CID 99877851

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one?
The IUPAC name of 2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one (CID 90628576) is 2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one.
What is the SMILES notation for 2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one?
The canonical SMILES for 2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one is Cc1cc(OC2CCN(C(=O)c3cc(=O)c4ccccc4o3)C2)cc(=O)o1.
What is the InChIKey of 2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one?
The InChIKey is RROVTRVCLHQJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO6/c1-12-8-14(9-19(23)25-12)26-13-6-7-21(11-13)20(24)18-10-16(22)15-4-2-3-5-17(15)27-18/h2-5,8-10,13H,6-7,11H2,1H3.
What are the key properties of 2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one?
2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one has a molecular weight of 367.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyl-6-oxopyran-4-yl)oxypyrrolidine-1-carbonyl]chromen-4-one is sourced from PubChem (CID 90628576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).