2-methylporphyrin

C21H14N4 — CID 68675536

IUPAC2-methylporphyrin
SMILESCC1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C21H14N4/c1-13-8-20-11-18-5-4-16(23-18)9-14-2-3-15(22-14)10-17-6-7-19(24-17)12-21(13)25-20/h2-12H,1H3/b14-9-,15-10-,16-9-,17-10-,18-11-,19-12-,20-11-,21-12-
InChIKeyBHGCXCXNKOZNOP-OLOLARHWSA-N
MW322.37 g/mol
LogP3.97
Rot. Bonds

About 2-methylporphyrin

2-methylporphyrin (PubChem CID 68675536) has the molecular formula C21H14N4 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-methylporphyrin.

Molecular Properties

Compound Name2-methylporphyrin
PubChem CID68675536
Molecular FormulaC21H14N4
Molecular Weight322.37 g/mol
Exact Mass322.12
IUPAC Name2-methylporphyrin
SMILESCC1=CC2=N/C1=C\C1=N/C(=C\C3=N/C(=C\C4=N/C(=C\2)C=C4)C=C3)C=C1
InChIInChI=1S/C21H14N4/c1-13-8-20-11-18-5-4-16(23-18)9-14-2-3-15(22-14)10-17-6-7-19(24-17)12-21(13)25-20/h2-12H,1H3/b14-9-,15-10-,16-9-,17-10-,18-11-,19-12-,20-11-,21-12-
InChIKeyBHGCXCXNKOZNOP-OLOLARHWSA-N
XLogP3.97
TPSA49.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methylporphyrin with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylporphyrin?
The IUPAC name of 2-methylporphyrin (CID 68675536) is 2-methylporphyrin.
What is the SMILES notation for 2-methylporphyrin?
The canonical SMILES for 2-methylporphyrin is CC1=CC2=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-methylporphyrin?
The InChIKey is BHGCXCXNKOZNOP-OLOLARHWSA-N. The full InChI is InChI=1S/C21H14N4/c1-13-8-20-11-18-5-4-16(23-18)9-14-2-3-15(22-14)10-17-6-7-19(24-17)12-21(13)25-20/h2-12H,1H3/b14-9-,15-10-,16-9-,17-10-,18-11-,19-12-,20-11-,21-12-.
What are the key properties of 2-methylporphyrin?
2-methylporphyrin has a molecular weight of 322.37 g/mol, XLogP of 3.97, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylporphyrin is sourced from PubChem (CID 68675536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).