3-hydroxy-4-(2-hydroxy-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)pyrrole-2,5-dione

C19H15NO4 — CID 70509691

IUPAC3-hydroxy-4-(2-hydroxy-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccc3c(c2)C(O)c2ccccc2CC3)=C1O
InChIInChI=1S/C19H15NO4/c21-16-13-4-2-1-3-10(13)5-6-11-7-8-12(9-14(11)16)15-17(22)19(24)20-18(15)23/h1-4,7-9,16,21H,5-6H2,(H2,20,22,23,24)
InChIKeyKBDLVLKSNVOJLP-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.79
Rot. Bonds1

About 3-hydroxy-4-(2-hydroxy-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)pyrrole-2,5-dione

3-hydroxy-4-(2-hydroxy-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)pyrrole-2,5-dione (PubChem CID 70509691) has the molecular formula C19H15NO4 and a molecular weight of 321.33 g/mol. Its IUPAC name is 3-hydroxy-4-(2-hydroxy-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-4-(2-hydroxy-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)pyrrole-2,5-dione
PubChem CID70509691
Molecular FormulaC19H15NO4
Molecular Weight321.33 g/mol
Exact Mass321.10
IUPAC Name3-hydroxy-4-(2-hydroxy-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)pyrrole-2,5-dione
SMILESO=C1NC(=O)C(c2ccc3c(c2)C(O)c2ccccc2CC3)=C1O
InChIInChI=1S/C19H15NO4/c21-16-13-4-2-1-3-10(13)5-6-11-7-8-12(9-14(11)16)15-17(22)19(24)20-18(15)23/h1-4,7-9,16,21H,5-6H2,(H2,20,22,23,24)
InChIKeyKBDLVLKSNVOJLP-UHFFFAOYSA-N
XLogP1.79
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2-hydroxy-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)pyrrole-2,5-dione?
The IUPAC name of 3-hydroxy-4-(2-hydroxy-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)pyrrole-2,5-dione (CID 70509691) is 3-hydroxy-4-(2-hydroxy-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-hydroxy-4-(2-hydroxy-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)pyrrole-2,5-dione?
The canonical SMILES for 3-hydroxy-4-(2-hydroxy-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)pyrrole-2,5-dione is O=C1NC(=O)C(c2ccc3c(c2)C(O)c2ccccc2CC3)=C1O.
What is the InChIKey of 3-hydroxy-4-(2-hydroxy-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)pyrrole-2,5-dione?
The InChIKey is KBDLVLKSNVOJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO4/c21-16-13-4-2-1-3-10(13)5-6-11-7-8-12(9-14(11)16)15-17(22)19(24)20-18(15)23/h1-4,7-9,16,21H,5-6H2,(H2,20,22,23,24).
What are the key properties of 3-hydroxy-4-(2-hydroxy-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)pyrrole-2,5-dione?
3-hydroxy-4-(2-hydroxy-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)pyrrole-2,5-dione has a molecular weight of 321.33 g/mol, XLogP of 1.79, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2-hydroxy-5-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)pyrrole-2,5-dione is sourced from PubChem (CID 70509691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).