21,22,23,24-tetrahydroporphyrin-2,3-dione

C20H14N4O2 — CID 69102383

IUPAC21,22,23,24-tetrahydroporphyrin-2,3-dione
SMILESO=C1C(=O)/C2=C/c3ccc([nH]3)/C=c3/cc/c([nH]3)=C/c3ccc([nH]3)/C=C/1N2
InChIInChI=1S/C20H14N4O2/c25-19-17-9-15-5-3-13(22-15)7-11-1-2-12(21-11)8-14-4-6-16(23-14)10-18(24-17)20(19)26/h1-10,21-24H/b11-7-,12-8-,17-9-,18-10-
InChIKeyAUSGPDGXQQCTNG-VKAVBVKOSA-N
MW342.36 g/mol
LogP0.77
Rot. Bonds

About 21,22,23,24-tetrahydroporphyrin-2,3-dione

21,22,23,24-tetrahydroporphyrin-2,3-dione (PubChem CID 69102383) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 21,22,23,24-tetrahydroporphyrin-2,3-dione.

Molecular Properties

Compound Name21,22,23,24-tetrahydroporphyrin-2,3-dione
PubChem CID69102383
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name21,22,23,24-tetrahydroporphyrin-2,3-dione
SMILESO=C1C(=O)/C2=C/c3ccc([nH]3)/C=c3/cc/c([nH]3)=C/c3ccc([nH]3)/C=C/1N2
InChIInChI=1S/C20H14N4O2/c25-19-17-9-15-5-3-13(22-15)7-11-1-2-12(21-11)8-14-4-6-16(23-14)10-18(24-17)20(19)26/h1-10,21-24H/b11-7-,12-8-,17-9-,18-10-
InChIKeyAUSGPDGXQQCTNG-VKAVBVKOSA-N
XLogP0.77
TPSA93.54 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 21,22,23,24-tetrahydroporphyrin-2,3-dione?
The IUPAC name of 21,22,23,24-tetrahydroporphyrin-2,3-dione (CID 69102383) is 21,22,23,24-tetrahydroporphyrin-2,3-dione.
What is the SMILES notation for 21,22,23,24-tetrahydroporphyrin-2,3-dione?
The canonical SMILES for 21,22,23,24-tetrahydroporphyrin-2,3-dione is O=C1C(=O)/C2=C/c3ccc([nH]3)/C=c3/cc/c([nH]3)=C/c3ccc([nH]3)/C=C/1N2.
What is the InChIKey of 21,22,23,24-tetrahydroporphyrin-2,3-dione?
The InChIKey is AUSGPDGXQQCTNG-VKAVBVKOSA-N. The full InChI is InChI=1S/C20H14N4O2/c25-19-17-9-15-5-3-13(22-15)7-11-1-2-12(21-11)8-14-4-6-16(23-14)10-18(24-17)20(19)26/h1-10,21-24H/b11-7-,12-8-,17-9-,18-10-.
What are the key properties of 21,22,23,24-tetrahydroporphyrin-2,3-dione?
21,22,23,24-tetrahydroporphyrin-2,3-dione has a molecular weight of 342.36 g/mol, XLogP of 0.77, 0 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 21,22,23,24-tetrahydroporphyrin-2,3-dione is sourced from PubChem (CID 69102383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).