2-(4,5-dihydro-1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

C19H18N2O3 — CID 143649354

IUPAC2-(4,5-dihydro-1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)c1cc2c([nH]1)C=CCC2
InChIInChI=1S/C19H18N2O3/c22-17(16-9-12-5-3-4-8-15(12)20-16)21-19(18(23)24)10-13-6-1-2-7-14(13)11-19/h1-2,4,6-9,20H,3,5,10-11H2,(H,21,22)(H,23,24)
InChIKeySGPCEVOLEMHKPV-UHFFFAOYSA-N
MW322.36 g/mol
LogP2.33
Rot. Bonds3

About 2-(4,5-dihydro-1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid

2-(4,5-dihydro-1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid (PubChem CID 143649354) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
PubChem CID143649354
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name2-(4,5-dihydro-1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid
SMILESO=C(NC1(C(=O)O)Cc2ccccc2C1)c1cc2c([nH]1)C=CCC2
InChIInChI=1S/C19H18N2O3/c22-17(16-9-12-5-3-4-8-15(12)20-16)21-19(18(23)24)10-13-6-1-2-7-14(13)11-19/h1-2,4,6-9,20H,3,5,10-11H2,(H,21,22)(H,23,24)
InChIKeySGPCEVOLEMHKPV-UHFFFAOYSA-N
XLogP2.33
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 52.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The IUPAC name of 2-(4,5-dihydro-1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid (CID 143649354) is 2-(4,5-dihydro-1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid.
What is the SMILES notation for 2-(4,5-dihydro-1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The canonical SMILES for 2-(4,5-dihydro-1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid is O=C(NC1(C(=O)O)Cc2ccccc2C1)c1cc2c([nH]1)C=CCC2.
What is the InChIKey of 2-(4,5-dihydro-1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
The InChIKey is SGPCEVOLEMHKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c22-17(16-9-12-5-3-4-8-15(12)20-16)21-19(18(23)24)10-13-6-1-2-7-14(13)11-19/h1-2,4,6-9,20H,3,5,10-11H2,(H,21,22)(H,23,24).
What are the key properties of 2-(4,5-dihydro-1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid?
2-(4,5-dihydro-1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid has a molecular weight of 322.36 g/mol, XLogP of 2.33, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-indole-2-carbonylamino)-1,3-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 143649354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).