2-ethyl-3-methylporphyrin

C23H18N4 — CID 67743305

IUPAC2-ethyl-3-methylporphyrin
SMILESCCC1=C(C)C2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C23H18N4/c1-3-21-14(2)22-12-19-8-6-17(25-19)10-15-4-5-16(24-15)11-18-7-9-20(26-18)13-23(21)27-22/h4-13H,3H2,1-2H3/b15-10-,16-11-,17-10-,18-11-,19-12-,20-13-,22-12-,23-13-
InChIKeyIWBWARYAAOREOW-FWWWHUSTSA-N
MW350.43 g/mol
LogP4.75
Rot. Bonds1

About 2-ethyl-3-methylporphyrin

2-ethyl-3-methylporphyrin (PubChem CID 67743305) has the molecular formula C23H18N4 and a molecular weight of 350.43 g/mol. Its IUPAC name is 2-ethyl-3-methylporphyrin.

Molecular Properties

Compound Name2-ethyl-3-methylporphyrin
PubChem CID67743305
Molecular FormulaC23H18N4
Molecular Weight350.43 g/mol
Exact Mass350.15
IUPAC Name2-ethyl-3-methylporphyrin
SMILESCCC1=C(C)C2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C23H18N4/c1-3-21-14(2)22-12-19-8-6-17(25-19)10-15-4-5-16(24-15)11-18-7-9-20(26-18)13-23(21)27-22/h4-13H,3H2,1-2H3/b15-10-,16-11-,17-10-,18-11-,19-12-,20-13-,22-12-,23-13-
InChIKeyIWBWARYAAOREOW-FWWWHUSTSA-N
XLogP4.75
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

copper;2,3,5,7,8,10,12,13-octaethylporphyrin
CID 66663117
[4-(10,19-diethyl-9,20-dimethyl-26,27,28,30-tetraza-29-azanidahexacyclo[21.2.1.13,6.18,11.113,16.118,21]triaconta-1(26),3(30),4,6,8,10,12,14,16(28),17,19,21(27),22,24-tetradecaen-2-ylidene)cyclohexa-2,5-dien-1-ylidene]methanediolate;ruthenium(3+)
CID 56942021
2,3-dibromoporphyrin
CID 66625695
2,3,5,7,8,10,12,13-octamethylporphyrin
CID 70296448
porphyrin;zinc
CID 66593577
cobalt;porphyrin
CID 69089029
2-(1-bromopropyl)porphyrin
CID 174619492
azane;porphyrin;zinc
CID 175189191
11,16-diethyl-12,17,21,26-tetramethyl-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1(23),2(6),5(26),7,9,11,13(25),14,16,18(24),19,21-dodecaene
CID 163125285
3-methyl-2-[3-(3-methyl-1,3-thiazol-3-ium-2-yl)porphyrin-2-yl]-1,3-thiazol-3-ium
CID 70104935
2,18-bis(3-bromopropyl)-7,12-diethyl-3,8,13,17-tetramethylporphyrin
CID 67673633
4,15-diethyl-5,14-dimethyl-28-selena-27,29-diazahexacyclo[16.7.1.13,6.18,11.113,16.019,25]nonacosa-1(26),2,4,6(29),7,9,11,13(27),14,16,18,20,22,24-tetradecaene
CID 11318351

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-3-methylporphyrin?
The IUPAC name of 2-ethyl-3-methylporphyrin (CID 67743305) is 2-ethyl-3-methylporphyrin.
What is the SMILES notation for 2-ethyl-3-methylporphyrin?
The canonical SMILES for 2-ethyl-3-methylporphyrin is CCC1=C(C)C2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1.
What is the InChIKey of 2-ethyl-3-methylporphyrin?
The InChIKey is IWBWARYAAOREOW-FWWWHUSTSA-N. The full InChI is InChI=1S/C23H18N4/c1-3-21-14(2)22-12-19-8-6-17(25-19)10-15-4-5-16(24-15)11-18-7-9-20(26-18)13-23(21)27-22/h4-13H,3H2,1-2H3/b15-10-,16-11-,17-10-,18-11-,19-12-,20-13-,22-12-,23-13-.
What are the key properties of 2-ethyl-3-methylporphyrin?
2-ethyl-3-methylporphyrin has a molecular weight of 350.43 g/mol, XLogP of 4.75, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-3-methylporphyrin is sourced from PubChem (CID 67743305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).