3,6-dihydro-2H-phenanthridine-5-carboxylic acid

C14H13NO2 — CID 68628498

IUPAC3,6-dihydro-2H-phenanthridine-5-carboxylic acid
SMILESO=C(O)N1Cc2ccccc2C2=CCCC=C21
InChIInChI=1S/C14H13NO2/c16-14(17)15-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)15/h1-2,5-8H,3-4,9H2,(H,16,17)
InChIKeyLTSMMPBNOPZJJR-UHFFFAOYSA-N
MW227.26 g/mol
LogP3.24
Rot. Bonds

About 3,6-dihydro-2H-phenanthridine-5-carboxylic acid

3,6-dihydro-2H-phenanthridine-5-carboxylic acid (PubChem CID 68628498) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 3,6-dihydro-2H-phenanthridine-5-carboxylic acid.

Molecular Properties

Compound Name3,6-dihydro-2H-phenanthridine-5-carboxylic acid
PubChem CID68628498
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name3,6-dihydro-2H-phenanthridine-5-carboxylic acid
SMILESO=C(O)N1Cc2ccccc2C2=CCCC=C21
InChIInChI=1S/C14H13NO2/c16-14(17)15-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)15/h1-2,5-8H,3-4,9H2,(H,16,17)
InChIKeyLTSMMPBNOPZJJR-UHFFFAOYSA-N
XLogP3.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,6-dihydro-2H-phenanthridine-5-carboxylic acid?
The IUPAC name of 3,6-dihydro-2H-phenanthridine-5-carboxylic acid (CID 68628498) is 3,6-dihydro-2H-phenanthridine-5-carboxylic acid.
What is the SMILES notation for 3,6-dihydro-2H-phenanthridine-5-carboxylic acid?
The canonical SMILES for 3,6-dihydro-2H-phenanthridine-5-carboxylic acid is O=C(O)N1Cc2ccccc2C2=CCCC=C21.
What is the InChIKey of 3,6-dihydro-2H-phenanthridine-5-carboxylic acid?
The InChIKey is LTSMMPBNOPZJJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2/c16-14(17)15-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)15/h1-2,5-8H,3-4,9H2,(H,16,17).
What are the key properties of 3,6-dihydro-2H-phenanthridine-5-carboxylic acid?
3,6-dihydro-2H-phenanthridine-5-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 3.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dihydro-2H-phenanthridine-5-carboxylic acid is sourced from PubChem (CID 68628498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).