21,22,23,24-tetrahydroporphyrin-2,3,12,13-tetrone

C20H12N4O4 — CID 90802725

IUPAC21,22,23,24-tetrahydroporphyrin-2,3,12,13-tetrone
SMILESO=C1C(=O)/C2=C/c3ccc([nH]3)/C=C3\N/C(=C\c4ccc([nH]4)/C=C/1N2)C(=O)C3=O
InChIInChI=1S/C20H12N4O4/c25-17-13-5-9-1-2-10(21-9)6-14-18(26)20(28)16(24-14)8-12-4-3-11(22-12)7-15(23-13)19(17)27/h1-8,21-24H/b13-5-,14-6-,15-7-,16-8-
InChIKeyLVZOGWOVSAGIQQ-XKDJMTFZSA-N
MW372.34 g/mol
LogP0.90
Rot. Bonds

About 21,22,23,24-tetrahydroporphyrin-2,3,12,13-tetrone

21,22,23,24-tetrahydroporphyrin-2,3,12,13-tetrone (PubChem CID 90802725) has the molecular formula C20H12N4O4 and a molecular weight of 372.34 g/mol. Its IUPAC name is 21,22,23,24-tetrahydroporphyrin-2,3,12,13-tetrone.

Molecular Properties

Compound Name21,22,23,24-tetrahydroporphyrin-2,3,12,13-tetrone
PubChem CID90802725
Molecular FormulaC20H12N4O4
Molecular Weight372.34 g/mol
Exact Mass372.09
IUPAC Name21,22,23,24-tetrahydroporphyrin-2,3,12,13-tetrone
SMILESO=C1C(=O)/C2=C/c3ccc([nH]3)/C=C3\N/C(=C\c4ccc([nH]4)/C=C/1N2)C(=O)C3=O
InChIInChI=1S/C20H12N4O4/c25-17-13-5-9-1-2-10(21-9)6-14-18(26)20(28)16(24-14)8-12-4-3-11(22-12)7-15(23-13)19(17)27/h1-8,21-24H/b13-5-,14-6-,15-7-,16-8-
InChIKeyLVZOGWOVSAGIQQ-XKDJMTFZSA-N
XLogP0.90
TPSA123.92 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 50.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-2,3,12,13-tetrone?
The IUPAC name of 21,22,23,24-tetrahydroporphyrin-2,3,12,13-tetrone (CID 90802725) is 21,22,23,24-tetrahydroporphyrin-2,3,12,13-tetrone.
What is the SMILES notation for 21,22,23,24-tetrahydroporphyrin-2,3,12,13-tetrone?
The canonical SMILES for 21,22,23,24-tetrahydroporphyrin-2,3,12,13-tetrone is O=C1C(=O)/C2=C/c3ccc([nH]3)/C=C3\N/C(=C\c4ccc([nH]4)/C=C/1N2)C(=O)C3=O.
What is the InChIKey of 21,22,23,24-tetrahydroporphyrin-2,3,12,13-tetrone?
The InChIKey is LVZOGWOVSAGIQQ-XKDJMTFZSA-N. The full InChI is InChI=1S/C20H12N4O4/c25-17-13-5-9-1-2-10(21-9)6-14-18(26)20(28)16(24-14)8-12-4-3-11(22-12)7-15(23-13)19(17)27/h1-8,21-24H/b13-5-,14-6-,15-7-,16-8-.
What are the key properties of 21,22,23,24-tetrahydroporphyrin-2,3,12,13-tetrone?
21,22,23,24-tetrahydroporphyrin-2,3,12,13-tetrone has a molecular weight of 372.34 g/mol, XLogP of 0.90, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 21,22,23,24-tetrahydroporphyrin-2,3,12,13-tetrone is sourced from PubChem (CID 90802725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).