21,22-dihydro-1H-porphyrin-2-one

C20H14N4O — CID 69014312

IUPAC21,22-dihydro-1H-porphyrin-2-one
SMILESO=C1C=C2C=c3ccc([nH]3)=CC3=NC(=CC4=NC(=CC1N2)C=C4)C=C3
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/h1-11,19,22,24H
InChIKeyINSWNZKFGFWFOL-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.80
Rot. Bonds

About 21,22-dihydro-1H-porphyrin-2-one

21,22-dihydro-1H-porphyrin-2-one (PubChem CID 69014312) has the molecular formula C20H14N4O and a molecular weight of 326.36 g/mol. Its IUPAC name is 21,22-dihydro-1H-porphyrin-2-one.

Molecular Properties

Compound Name21,22-dihydro-1H-porphyrin-2-one
PubChem CID69014312
Molecular FormulaC20H14N4O
Molecular Weight326.36 g/mol
Exact Mass326.12
IUPAC Name21,22-dihydro-1H-porphyrin-2-one
SMILESO=C1C=C2C=c3ccc([nH]3)=CC3=NC(=CC4=NC(=CC1N2)C=C4)C=C3
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/h1-11,19,22,24H
InChIKeyINSWNZKFGFWFOL-UHFFFAOYSA-N
XLogP0.80
TPSA69.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 21,22-dihydro-1H-porphyrin-2-one?
The IUPAC name of 21,22-dihydro-1H-porphyrin-2-one (CID 69014312) is 21,22-dihydro-1H-porphyrin-2-one.
What is the SMILES notation for 21,22-dihydro-1H-porphyrin-2-one?
The canonical SMILES for 21,22-dihydro-1H-porphyrin-2-one is O=C1C=C2C=c3ccc([nH]3)=CC3=NC(=CC4=NC(=CC1N2)C=C4)C=C3.
What is the InChIKey of 21,22-dihydro-1H-porphyrin-2-one?
The InChIKey is INSWNZKFGFWFOL-UHFFFAOYSA-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/h1-11,19,22,24H.
What are the key properties of 21,22-dihydro-1H-porphyrin-2-one?
21,22-dihydro-1H-porphyrin-2-one has a molecular weight of 326.36 g/mol, XLogP of 0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 21,22-dihydro-1H-porphyrin-2-one is sourced from PubChem (CID 69014312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).