(10aR)-8,10a-dihydroxy-1H-chromeno[2,3-d]pyrimidine-2,4-dione

C11H8N2O5 — CID 701677

IUPAC(10aR)-8,10a-dihydroxy-1H-chromeno[2,3-d]pyrimidine-2,4-dione
SMILESO=C1NC(=O)C2=Cc3ccc(O)cc3O[C@@]2(O)N1
InChIInChI=1S/C11H8N2O5/c14-6-2-1-5-3-7-9(15)12-10(16)13-11(7,17)18-8(5)4-6/h1-4,14,17H,(H2,12,13,15,16)/t11-/m1/s1
InChIKeyMBCMAJKYSIFXFC-LLVKDONJSA-N
MW248.19 g/mol
LogP-0.35
Rot. Bonds

About (10aR)-8,10a-dihydroxy-1H-chromeno[2,3-d]pyrimidine-2,4-dione

(10aR)-8,10a-dihydroxy-1H-chromeno[2,3-d]pyrimidine-2,4-dione (PubChem CID 701677) has the molecular formula C11H8N2O5 and a molecular weight of 248.19 g/mol. Its IUPAC name is (10aR)-8,10a-dihydroxy-1H-chromeno[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name(10aR)-8,10a-dihydroxy-1H-chromeno[2,3-d]pyrimidine-2,4-dione
PubChem CID701677
Molecular FormulaC11H8N2O5
Molecular Weight248.19 g/mol
Exact Mass248.04
IUPAC Name(10aR)-8,10a-dihydroxy-1H-chromeno[2,3-d]pyrimidine-2,4-dione
SMILESO=C1NC(=O)C2=Cc3ccc(O)cc3O[C@@]2(O)N1
InChIInChI=1S/C11H8N2O5/c14-6-2-1-5-3-7-9(15)12-10(16)13-11(7,17)18-8(5)4-6/h1-4,14,17H,(H2,12,13,15,16)/t11-/m1/s1
InChIKeyMBCMAJKYSIFXFC-LLVKDONJSA-N
XLogP-0.35
TPSA107.89 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.19
LogP ≤ 5-0.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3,4-dihydroxyphenyl)-3-methoxychromene-2,7-diol
CID 11779665
7-hydroxyspiro[1,3-dihydroquinazoline-4,1'-cyclopropane]-2-one
CID 115018070
1H-quinoline-2,2,3,7-tetrol
CID 163216964
2,2-diethyl-4-(2-hydroxyethyl)-3H-1,4-benzoxazin-7-ol
CID 82162214
3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol
CID 66716560
2,2-diethyl-4-(2-hydroxyethyl)-3H-1,4-benzoxazin-6-ol
CID 82162195
8-hydroxy-3,4-dihydro-2H-1,4-benzoxazepin-5-one
CID 59403478
2-ethyl-2-(trifluoromethyl)chromen-7-ol
CID 141098205
sodium;3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one;ethanol;hydride
CID 175533354
3-(6-hydroxy-2-methyl-3H-1,3-benzoxazol-2-yl)pentanoic acid
CID 57219775
2,2-difluoro-1,3-benzodioxol-5-ol
CID 67356342
7'-hydroxy-3-methylspiro[3H-chromene-2,2'-chromene]-4-one
CID 71209868

Frequently Asked Questions

What is the IUPAC name of (10aR)-8,10a-dihydroxy-1H-chromeno[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of (10aR)-8,10a-dihydroxy-1H-chromeno[2,3-d]pyrimidine-2,4-dione (CID 701677) is (10aR)-8,10a-dihydroxy-1H-chromeno[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for (10aR)-8,10a-dihydroxy-1H-chromeno[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for (10aR)-8,10a-dihydroxy-1H-chromeno[2,3-d]pyrimidine-2,4-dione is O=C1NC(=O)C2=Cc3ccc(O)cc3O[C@@]2(O)N1.
What is the InChIKey of (10aR)-8,10a-dihydroxy-1H-chromeno[2,3-d]pyrimidine-2,4-dione?
The InChIKey is MBCMAJKYSIFXFC-LLVKDONJSA-N. The full InChI is InChI=1S/C11H8N2O5/c14-6-2-1-5-3-7-9(15)12-10(16)13-11(7,17)18-8(5)4-6/h1-4,14,17H,(H2,12,13,15,16)/t11-/m1/s1.
What are the key properties of (10aR)-8,10a-dihydroxy-1H-chromeno[2,3-d]pyrimidine-2,4-dione?
(10aR)-8,10a-dihydroxy-1H-chromeno[2,3-d]pyrimidine-2,4-dione has a molecular weight of 248.19 g/mol, XLogP of -0.35, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10aR)-8,10a-dihydroxy-1H-chromeno[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 701677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).