1-anilino-2,3-dihydroindene-1-carboxylic acid

C16H15NO2 — CID 12740130

IUPAC1-anilino-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccccc2)CCc2ccccc21
InChIInChI=1S/C16H15NO2/c18-15(19)16(17-13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)16/h1-9,17H,10-11H2,(H,18,19)
InChIKeyYEOGRMMPERQCBD-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.02
Rot. Bonds3

About 1-anilino-2,3-dihydroindene-1-carboxylic acid

1-anilino-2,3-dihydroindene-1-carboxylic acid (PubChem CID 12740130) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-anilino-2,3-dihydroindene-1-carboxylic acid.

Molecular Properties

Compound Name1-anilino-2,3-dihydroindene-1-carboxylic acid
PubChem CID12740130
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-anilino-2,3-dihydroindene-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccccc2)CCc2ccccc21
InChIInChI=1S/C16H15NO2/c18-15(19)16(17-13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)16/h1-9,17H,10-11H2,(H,18,19)
InChIKeyYEOGRMMPERQCBD-UHFFFAOYSA-N
XLogP3.02
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclopentylamino)-2,3-dihydroindene-1-carboxylic acid
CID 61001988
1-(3-bromoanilino)-2,3-dihydroindene-1-carboxamide
CID 61006539
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2,3-dihydroindene-1-carboxylic acid
CID 2733195
(1S)-1-methyl-2,3-dihydroindene-1-carboxylic acid
CID 124509477
1-anilino-2,3-dihydroindene-1-carbonitrile
CID 12740114
1-methylsulfanyl-2,3-dihydroindene-1-carboxylic acid
CID 82235218
2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylic acid
CID 44720486
(5-anilino-6,7,8,9-tetrahydrobenzo[7]annulen-5-yl)methanol
CID 61046616
1-(propylamino)-2,3-dihydroindene-1-carboxamide
CID 60796921
1-(oxolan-2-ylmethylamino)-2,3-dihydroindene-1-carboxylic acid
CID 60992597
(1S)-1-(9H-fluoren-9-ylmethoxycarbonylamino)-2,3-dihydroindene-1-carboxylic acid
CID 1268153
1-[(5-formylthiophen-2-yl)methylamino]-2,3-dihydroindene-1-carboxylic acid
CID 145320839

Frequently Asked Questions

What is the IUPAC name of 1-anilino-2,3-dihydroindene-1-carboxylic acid?
The IUPAC name of 1-anilino-2,3-dihydroindene-1-carboxylic acid (CID 12740130) is 1-anilino-2,3-dihydroindene-1-carboxylic acid.
What is the SMILES notation for 1-anilino-2,3-dihydroindene-1-carboxylic acid?
The canonical SMILES for 1-anilino-2,3-dihydroindene-1-carboxylic acid is O=C(O)C1(Nc2ccccc2)CCc2ccccc21.
What is the InChIKey of 1-anilino-2,3-dihydroindene-1-carboxylic acid?
The InChIKey is YEOGRMMPERQCBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c18-15(19)16(17-13-7-2-1-3-8-13)11-10-12-6-4-5-9-14(12)16/h1-9,17H,10-11H2,(H,18,19).
What are the key properties of 1-anilino-2,3-dihydroindene-1-carboxylic acid?
1-anilino-2,3-dihydroindene-1-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 3.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-anilino-2,3-dihydroindene-1-carboxylic acid is sourced from PubChem (CID 12740130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).