(5Z,10Z,14Z,19Z)-1,2,21,23-tetrahydroporphyrin;hydrate

C20H18N4O — CID 141327229

IUPAC(5Z,10Z,14Z,19Z)-1,2,21,23-tetrahydroporphyrin;hydrate
SMILESC1=C/C2=C/C3=CCC(/C=C4/C=CC(=N4)/C=c4/cc/c([nH]4)=C/C1=N2)N3.O
InChIInChI=1S/C20H16N4.H2O/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;/h1-7,9-12,20-21,24H,8H2;1H2/b13-9-,14-10-,17-11-,18-12-;
InChIKeyDVMCBUIZWHVGOI-IEWGRSMMSA-N
MW330.39 g/mol
LogP0.80
Rot. Bonds

About (5Z,10Z,14Z,19Z)-1,2,21,23-tetrahydroporphyrin;hydrate

(5Z,10Z,14Z,19Z)-1,2,21,23-tetrahydroporphyrin;hydrate (PubChem CID 141327229) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is (5Z,10Z,14Z,19Z)-1,2,21,23-tetrahydroporphyrin;hydrate.

Molecular Properties

Compound Name(5Z,10Z,14Z,19Z)-1,2,21,23-tetrahydroporphyrin;hydrate
PubChem CID141327229
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name(5Z,10Z,14Z,19Z)-1,2,21,23-tetrahydroporphyrin;hydrate
SMILESC1=C/C2=C/C3=CCC(/C=C4/C=CC(=N4)/C=c4/cc/c([nH]4)=C/C1=N2)N3.O
InChIInChI=1S/C20H16N4.H2O/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;/h1-7,9-12,20-21,24H,8H2;1H2/b13-9-,14-10-,17-11-,18-12-;
InChIKeyDVMCBUIZWHVGOI-IEWGRSMMSA-N
XLogP0.80
TPSA84.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5Z,10Z,14Z,19Z)-1,2,21,23-tetrahydroporphyrin;hydrate?
The IUPAC name of (5Z,10Z,14Z,19Z)-1,2,21,23-tetrahydroporphyrin;hydrate (CID 141327229) is (5Z,10Z,14Z,19Z)-1,2,21,23-tetrahydroporphyrin;hydrate.
What is the SMILES notation for (5Z,10Z,14Z,19Z)-1,2,21,23-tetrahydroporphyrin;hydrate?
The canonical SMILES for (5Z,10Z,14Z,19Z)-1,2,21,23-tetrahydroporphyrin;hydrate is C1=C/C2=C/C3=CCC(/C=C4/C=CC(=N4)/C=c4/cc/c([nH]4)=C/C1=N2)N3.O.
What is the InChIKey of (5Z,10Z,14Z,19Z)-1,2,21,23-tetrahydroporphyrin;hydrate?
The InChIKey is DVMCBUIZWHVGOI-IEWGRSMMSA-N. The full InChI is InChI=1S/C20H16N4.H2O/c1-2-14-10-16-5-6-18(23-16)12-20-8-7-19(24-20)11-17-4-3-15(22-17)9-13(1)21-14;/h1-7,9-12,20-21,24H,8H2;1H2/b13-9-,14-10-,17-11-,18-12-;.
What are the key properties of (5Z,10Z,14Z,19Z)-1,2,21,23-tetrahydroporphyrin;hydrate?
(5Z,10Z,14Z,19Z)-1,2,21,23-tetrahydroporphyrin;hydrate has a molecular weight of 330.39 g/mol, XLogP of 0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,10Z,14Z,19Z)-1,2,21,23-tetrahydroporphyrin;hydrate is sourced from PubChem (CID 141327229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).