22,23-dihydro-21H-porphyrin-2-one

C20H14N4O — CID 18377831

IUPAC22,23-dihydro-21H-porphyrin-2-one
SMILESO=C1C=C2/C=c3/cc/c([nH]3)=C/c3ccc([nH]3)/C=C3/C=CC(=N3)/C=C/1N2
InChIInChI=1S/C20H14N4O/c25-20-11-18-9-16-4-3-14(22-16)7-12-1-2-13(21-12)8-15-5-6-17(23-15)10-19(20)24-18/h1-11,21-22,24H/b14-7-,15-8-,16-9-,19-10-
InChIKeyGTJMINYAAUOTRM-RFQYXXRASA-N
MW326.36 g/mol
LogP1.26
Rot. Bonds

About 22,23-dihydro-21H-porphyrin-2-one

22,23-dihydro-21H-porphyrin-2-one (PubChem CID 18377831) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 22,23-dihydro-21H-porphyrin-2-one.

Molecular Properties

Compound Name22,23-dihydro-21H-porphyrin-2-one
PubChem CID18377831
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name22,23-dihydro-21H-porphyrin-2-one
SMILESO=C1C=C2/C=c3/cc/c([nH]3)=C/c3ccc([nH]3)/C=C3/C=CC(=N3)/C=C/1N2
InChIInChI=1S/C20H14N4O/c25-20-11-18-9-16-4-3-14(22-16)7-12-1-2-13(21-12)8-15-5-6-17(23-15)10-19(20)24-18/h1-11,21-22,24H/b14-7-,15-8-,16-9-,19-10-
InChIKeyGTJMINYAAUOTRM-RFQYXXRASA-N
XLogP1.26
TPSA73.04 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 22,23-dihydro-21H-porphyrin-2-one?
The IUPAC name of 22,23-dihydro-21H-porphyrin-2-one (CID 18377831) is 22,23-dihydro-21H-porphyrin-2-one.
What is the SMILES notation for 22,23-dihydro-21H-porphyrin-2-one?
The canonical SMILES for 22,23-dihydro-21H-porphyrin-2-one is O=C1C=C2/C=c3/cc/c([nH]3)=C/c3ccc([nH]3)/C=C3/C=CC(=N3)/C=C/1N2.
What is the InChIKey of 22,23-dihydro-21H-porphyrin-2-one?
The InChIKey is GTJMINYAAUOTRM-RFQYXXRASA-N. The full InChI is InChI=1S/C20H14N4O/c25-20-11-18-9-16-4-3-14(22-16)7-12-1-2-13(21-12)8-15-5-6-17(23-15)10-19(20)24-18/h1-11,21-22,24H/b14-7-,15-8-,16-9-,19-10-.
What are the key properties of 22,23-dihydro-21H-porphyrin-2-one?
22,23-dihydro-21H-porphyrin-2-one has a molecular weight of 326.36 g/mol, XLogP of 1.26, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 22,23-dihydro-21H-porphyrin-2-one is sourced from PubChem (CID 18377831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).