1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid

C11H11NO3 — CID 87579467

IUPAC1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESO=CNC1c2ccccc2CC1C(=O)O
InChIInChI=1S/C11H11NO3/c13-6-12-10-8-4-2-1-3-7(8)5-9(10)11(14)15/h1-4,6,9-10H,5H2,(H,12,13)(H,14,15)
InChIKeyPOBDXHVYLLWKQA-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.73
Rot. Bonds3

About 1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid

1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid (PubChem CID 87579467) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid.

Molecular Properties

Compound Name1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid
PubChem CID87579467
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid
SMILESO=CNC1c2ccccc2CC1C(=O)O
InChIInChI=1S/C11H11NO3/c13-6-12-10-8-4-2-1-3-7(8)5-9(10)11(14)15/h1-4,6,9-10H,5H2,(H,12,13)(H,14,15)
InChIKeyPOBDXHVYLLWKQA-UHFFFAOYSA-N
XLogP0.73
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydro-1H-indene-1,2-dicarboxylic acid
CID 21427203
(1R,2S)-1-amino-2,3-dihydro-1H-indene-2-carboxylic acid
CID 70327463
1-carbamoyl-2,3-dihydro-1H-indene-2-carboxylic acid
CID 91536565
1-[(2-chloro-4-methylbenzoyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid
CID 166375745
(1S,2S)-2-hydroxy-2,3-dihydro-1H-indene-1-carboxylic acid
CID 15696258
N-(1-iodo-2,3-dihydro-1H-inden-2-yl)formamide
CID 134337122
N-[(2S)-1-(pyrimidin-2-ylamino)-2,3-dihydro-1H-inden-2-yl]formamide
CID 130292824
(2R,3R)-3-methyl-4-methylsulfonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 144958529
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-methylcyclopropane-1-carboxamide
CID 113267995
[(1S,2R)-1-methyl-2,3-dihydro-1H-inden-2-yl]-phenylmethanone
CID 15420517
(1R,2R)-1-[(3-fluoro-4-methoxyphenyl)methylamino]-2,3-dihydro-1H-indene-2-carboxylic acid
CID 166274188
(E)-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-3-phenylprop-2-enamide
CID 103816948

Frequently Asked Questions

What is the IUPAC name of 1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid?
The IUPAC name of 1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid (CID 87579467) is 1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid.
What is the SMILES notation for 1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid?
The canonical SMILES for 1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid is O=CNC1c2ccccc2CC1C(=O)O.
What is the InChIKey of 1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid?
The InChIKey is POBDXHVYLLWKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-6-12-10-8-4-2-1-3-7(8)5-9(10)11(14)15/h1-4,6,9-10H,5H2,(H,12,13)(H,14,15).
What are the key properties of 1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid?
1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid has a molecular weight of 205.21 g/mol, XLogP of 0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formamido-2,3-dihydro-1H-indene-2-carboxylic acid is sourced from PubChem (CID 87579467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).