4-amino-2,3-dihydro-1H-indene-2-carboxylate

C10H10NO2- — CID 91665602

IUPAC4-amino-2,3-dihydro-1H-indene-2-carboxylate
SMILESNc1cccc2c1CC(C(=O)[O-])C2
InChIInChI=1S/C10H11NO2/c11-9-3-1-2-6-4-7(10(12)13)5-8(6)9/h1-3,7H,4-5,11H2,(H,12,13)/p-1
InChIKeyXATRQLHAJSSSDN-UHFFFAOYSA-M
MW176.20 g/mol
LogP-0.27
Rot. Bonds1

About 4-amino-2,3-dihydro-1H-indene-2-carboxylate

4-amino-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 91665602) has the molecular formula C10H10NO2- and a molecular weight of 176.20 g/mol. Its IUPAC name is 4-amino-2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Name4-amino-2,3-dihydro-1H-indene-2-carboxylate
PubChem CID91665602
Molecular FormulaC10H10NO2-
Molecular Weight176.20 g/mol
Exact Mass176.07
IUPAC Name4-amino-2,3-dihydro-1H-indene-2-carboxylate
SMILESNc1cccc2c1CC(C(=O)[O-])C2
InChIInChI=1S/C10H11NO2/c11-9-3-1-2-6-4-7(10(12)13)5-8(6)9/h1-3,7H,4-5,11H2,(H,12,13)/p-1
InChIKeyXATRQLHAJSSSDN-UHFFFAOYSA-M
XLogP-0.27
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.20
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2,3-dihydro-1H-indene-2-carboxylate?
The IUPAC name of 4-amino-2,3-dihydro-1H-indene-2-carboxylate (CID 91665602) is 4-amino-2,3-dihydro-1H-indene-2-carboxylate.
What is the SMILES notation for 4-amino-2,3-dihydro-1H-indene-2-carboxylate?
The canonical SMILES for 4-amino-2,3-dihydro-1H-indene-2-carboxylate is Nc1cccc2c1CC(C(=O)[O-])C2.
What is the InChIKey of 4-amino-2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is XATRQLHAJSSSDN-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H11NO2/c11-9-3-1-2-6-4-7(10(12)13)5-8(6)9/h1-3,7H,4-5,11H2,(H,12,13)/p-1.
What are the key properties of 4-amino-2,3-dihydro-1H-indene-2-carboxylate?
4-amino-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 176.20 g/mol, XLogP of -0.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 91665602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).