2-(2,3-dihydropyrrol-1-yl)-9H-xanthene-1-carboxylic acid

C18H15NO3 — CID 69171828

IUPAC2-(2,3-dihydropyrrol-1-yl)-9H-xanthene-1-carboxylic acid
SMILESO=C(O)c1c(N2C=CCC2)ccc2c1Cc1ccccc1O2
InChIInChI=1S/C18H15NO3/c20-18(21)17-13-11-12-5-1-2-6-15(12)22-16(13)8-7-14(17)19-9-3-4-10-19/h1-3,5-9H,4,10-11H2,(H,20,21)
InChIKeyRFFAZPNDUCTORU-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.81
Rot. Bonds2

About 2-(2,3-dihydropyrrol-1-yl)-9H-xanthene-1-carboxylic acid

2-(2,3-dihydropyrrol-1-yl)-9H-xanthene-1-carboxylic acid (PubChem CID 69171828) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(2,3-dihydropyrrol-1-yl)-9H-xanthene-1-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydropyrrol-1-yl)-9H-xanthene-1-carboxylic acid
PubChem CID69171828
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name2-(2,3-dihydropyrrol-1-yl)-9H-xanthene-1-carboxylic acid
SMILESO=C(O)c1c(N2C=CCC2)ccc2c1Cc1ccccc1O2
InChIInChI=1S/C18H15NO3/c20-18(21)17-13-11-12-5-1-2-6-15(12)22-16(13)8-7-14(17)19-9-3-4-10-19/h1-3,5-9H,4,10-11H2,(H,20,21)
InChIKeyRFFAZPNDUCTORU-UHFFFAOYSA-N
XLogP3.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydropyrrol-1-yl)-9H-xanthene-1-carboxylic acid?
The IUPAC name of 2-(2,3-dihydropyrrol-1-yl)-9H-xanthene-1-carboxylic acid (CID 69171828) is 2-(2,3-dihydropyrrol-1-yl)-9H-xanthene-1-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydropyrrol-1-yl)-9H-xanthene-1-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydropyrrol-1-yl)-9H-xanthene-1-carboxylic acid is O=C(O)c1c(N2C=CCC2)ccc2c1Cc1ccccc1O2.
What is the InChIKey of 2-(2,3-dihydropyrrol-1-yl)-9H-xanthene-1-carboxylic acid?
The InChIKey is RFFAZPNDUCTORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c20-18(21)17-13-11-12-5-1-2-6-15(12)22-16(13)8-7-14(17)19-9-3-4-10-19/h1-3,5-9H,4,10-11H2,(H,20,21).
What are the key properties of 2-(2,3-dihydropyrrol-1-yl)-9H-xanthene-1-carboxylic acid?
2-(2,3-dihydropyrrol-1-yl)-9H-xanthene-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydropyrrol-1-yl)-9H-xanthene-1-carboxylic acid is sourced from PubChem (CID 69171828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).