3-(5-methyl-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid

C17H16N2O3 — CID 67546522

IUPAC3-(5-methyl-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1ccc2n1C(=O)N(C1CCc3ccc(C(=O)O)cc31)C2
InChIInChI=1S/C17H16N2O3/c1-10-2-6-13-9-18(17(22)19(10)13)15-7-5-11-3-4-12(16(20)21)8-14(11)15/h2-4,6,8,15H,5,7,9H2,1H3,(H,20,21)
InChIKeyORYLKBXQHTVXKD-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.97
Rot. Bonds2

About 3-(5-methyl-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid

3-(5-methyl-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid (PubChem CID 67546522) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 3-(5-methyl-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid.

Molecular Properties

Compound Name3-(5-methyl-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid
PubChem CID67546522
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name3-(5-methyl-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid
SMILESCc1ccc2n1C(=O)N(C1CCc3ccc(C(=O)O)cc31)C2
InChIInChI=1S/C17H16N2O3/c1-10-2-6-13-9-18(17(22)19(10)13)15-7-5-11-3-4-12(16(20)21)8-14(11)15/h2-4,6,8,15H,5,7,9H2,1H3,(H,20,21)
InChIKeyORYLKBXQHTVXKD-UHFFFAOYSA-N
XLogP2.97
TPSA62.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid?
The IUPAC name of 3-(5-methyl-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid (CID 67546522) is 3-(5-methyl-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid.
What is the SMILES notation for 3-(5-methyl-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid?
The canonical SMILES for 3-(5-methyl-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid is Cc1ccc2n1C(=O)N(C1CCc3ccc(C(=O)O)cc31)C2.
What is the InChIKey of 3-(5-methyl-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid?
The InChIKey is ORYLKBXQHTVXKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-10-2-6-13-9-18(17(22)19(10)13)15-7-5-11-3-4-12(16(20)21)8-14(11)15/h2-4,6,8,15H,5,7,9H2,1H3,(H,20,21).
What are the key properties of 3-(5-methyl-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid?
3-(5-methyl-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid has a molecular weight of 296.33 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-oxo-1H-pyrrolo[1,2-c]imidazol-2-yl)-2,3-dihydro-1H-indene-5-carboxylic acid is sourced from PubChem (CID 67546522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).