(4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

C15H13NO4 — CID 99992771

IUPAC(4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)[nH]1)[C@@H](c1cccc(O)c1)CC(=O)O2
InChIInChI=1S/C15H13NO4/c1-8-5-12-14(15(19)16-8)11(7-13(18)20-12)9-3-2-4-10(17)6-9/h2-6,11,17H,7H2,1H3,(H,16,19)/t11-/m1/s1
InChIKeyMZZJZPVPEXSURS-LLVKDONJSA-N
MW271.27 g/mol
LogP1.83
Rot. Bonds1

About (4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione

(4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (PubChem CID 99992771) has the molecular formula C15H13NO4 and a molecular weight of 271.27 g/mol. Its IUPAC name is (4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.

Molecular Properties

Compound Name(4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
PubChem CID99992771
Molecular FormulaC15H13NO4
Molecular Weight271.27 g/mol
Exact Mass271.08
IUPAC Name(4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione
SMILESCc1cc2c(c(=O)[nH]1)[C@@H](c1cccc(O)c1)CC(=O)O2
InChIInChI=1S/C15H13NO4/c1-8-5-12-14(15(19)16-8)11(7-13(18)20-12)9-3-2-4-10(17)6-9/h2-6,11,17H,7H2,1H3,(H,16,19)/t11-/m1/s1
InChIKeyMZZJZPVPEXSURS-LLVKDONJSA-N
XLogP1.83
TPSA79.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.27
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The IUPAC name of (4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione (CID 99992771) is (4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione.
What is the SMILES notation for (4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The canonical SMILES for (4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is Cc1cc2c(c(=O)[nH]1)[C@@H](c1cccc(O)c1)CC(=O)O2.
What is the InChIKey of (4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
The InChIKey is MZZJZPVPEXSURS-LLVKDONJSA-N. The full InChI is InChI=1S/C15H13NO4/c1-8-5-12-14(15(19)16-8)11(7-13(18)20-12)9-3-2-4-10(17)6-9/h2-6,11,17H,7H2,1H3,(H,16,19)/t11-/m1/s1.
What are the key properties of (4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione?
(4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione has a molecular weight of 271.27 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(3-hydroxyphenyl)-7-methyl-4,6-dihydro-3H-pyrano[3,2-c]pyridine-2,5-dione is sourced from PubChem (CID 99992771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).