(10R)-4-hydroxy-6-methyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-2,5-dione

C13H16N2O3 — CID 130310648

IUPAC(10R)-4-hydroxy-6-methyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-2,5-dione
SMILESCc1cn2c(c(O)c1=O)C(=O)N1CCCC[C@@H]1C2
InChIInChI=1S/C13H16N2O3/c1-8-6-14-7-9-4-2-3-5-15(9)13(18)10(14)12(17)11(8)16/h6,9,17H,2-5,7H2,1H3/t9-/m1/s1
InChIKeySARCMLVIHQNQJE-SECBINFHSA-N
MW248.28 g/mol
LogP0.87
Rot. Bonds

About (10R)-4-hydroxy-6-methyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-2,5-dione

(10R)-4-hydroxy-6-methyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-2,5-dione (PubChem CID 130310648) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is (10R)-4-hydroxy-6-methyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-2,5-dione.

Molecular Properties

Compound Name(10R)-4-hydroxy-6-methyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-2,5-dione
PubChem CID130310648
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name(10R)-4-hydroxy-6-methyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-2,5-dione
SMILESCc1cn2c(c(O)c1=O)C(=O)N1CCCC[C@@H]1C2
InChIInChI=1S/C13H16N2O3/c1-8-6-14-7-9-4-2-3-5-15(9)13(18)10(14)12(17)11(8)16/h6,9,17H,2-5,7H2,1H3/t9-/m1/s1
InChIKeySARCMLVIHQNQJE-SECBINFHSA-N
XLogP0.87
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (10R)-4-hydroxy-6-methyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-2,5-dione?
The IUPAC name of (10R)-4-hydroxy-6-methyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-2,5-dione (CID 130310648) is (10R)-4-hydroxy-6-methyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-2,5-dione.
What is the SMILES notation for (10R)-4-hydroxy-6-methyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-2,5-dione?
The canonical SMILES for (10R)-4-hydroxy-6-methyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-2,5-dione is Cc1cn2c(c(O)c1=O)C(=O)N1CCCC[C@@H]1C2.
What is the InChIKey of (10R)-4-hydroxy-6-methyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-2,5-dione?
The InChIKey is SARCMLVIHQNQJE-SECBINFHSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-6-14-7-9-4-2-3-5-15(9)13(18)10(14)12(17)11(8)16/h6,9,17H,2-5,7H2,1H3/t9-/m1/s1.
What are the key properties of (10R)-4-hydroxy-6-methyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-2,5-dione?
(10R)-4-hydroxy-6-methyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-2,5-dione has a molecular weight of 248.28 g/mol, XLogP of 0.87, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-4-hydroxy-6-methyl-1,8-diazatricyclo[8.4.0.03,8]tetradeca-3,6-diene-2,5-dione is sourced from PubChem (CID 130310648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).