2,3-dihydro-1H-phenanthridine-5-carboxylic acid

C14H13NO2 — CID 87522063

IUPAC2,3-dihydro-1H-phenanthridine-5-carboxylic acid
SMILESO=C(O)N1C=c2ccccc2=C2CCCC=C21
InChIInChI=1S/C14H13NO2/c16-14(17)15-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)15/h1-2,5-6,8-9H,3-4,7H2,(H,16,17)
InChIKeyRSMSDXRVBLNPBX-UHFFFAOYSA-N
MW227.26 g/mol
LogP1.64
Rot. Bonds

About 2,3-dihydro-1H-phenanthridine-5-carboxylic acid

2,3-dihydro-1H-phenanthridine-5-carboxylic acid (PubChem CID 87522063) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2,3-dihydro-1H-phenanthridine-5-carboxylic acid.

Molecular Properties

Compound Name2,3-dihydro-1H-phenanthridine-5-carboxylic acid
PubChem CID87522063
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Name2,3-dihydro-1H-phenanthridine-5-carboxylic acid
SMILESO=C(O)N1C=c2ccccc2=C2CCCC=C21
InChIInChI=1S/C14H13NO2/c16-14(17)15-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)15/h1-2,5-6,8-9H,3-4,7H2,(H,16,17)
InChIKeyRSMSDXRVBLNPBX-UHFFFAOYSA-N
XLogP1.64
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 ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-phenanthridine-5-carboxylic acid?
The IUPAC name of 2,3-dihydro-1H-phenanthridine-5-carboxylic acid (CID 87522063) is 2,3-dihydro-1H-phenanthridine-5-carboxylic acid.
What is the SMILES notation for 2,3-dihydro-1H-phenanthridine-5-carboxylic acid?
The canonical SMILES for 2,3-dihydro-1H-phenanthridine-5-carboxylic acid is O=C(O)N1C=c2ccccc2=C2CCCC=C21.
What is the InChIKey of 2,3-dihydro-1H-phenanthridine-5-carboxylic acid?
The InChIKey is RSMSDXRVBLNPBX-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/h1-2,5-6,8-9H,3-4,7H2,(H,16,17).
What are the key properties of 2,3-dihydro-1H-phenanthridine-5-carboxylic acid?
2,3-dihydro-1H-phenanthridine-5-carboxylic acid has a molecular weight of 227.26 g/mol, XLogP of 1.64, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-phenanthridine-5-carboxylic acid is sourced from PubChem (CID 87522063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).