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

C11H13NO2 — CID 53350286

IUPACmethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate
SMILESCOC(=O)C1Cc2cccc(N)c2C1
InChIInChI=1S/C11H13NO2/c1-14-11(13)8-5-7-3-2-4-10(12)9(7)6-8/h2-4,8H,5-6,12H2,1H3
InChIKeyKLPPEZBHYAAHBS-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.16
Rot. Bonds1

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

methyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate (PubChem CID 53350286) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is methyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate
PubChem CID53350286
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Namemethyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate
SMILESCOC(=O)C1Cc2cccc(N)c2C1
InChIInChI=1S/C11H13NO2/c1-14-11(13)8-5-7-3-2-4-10(12)9(7)6-8/h2-4,8H,5-6,12H2,1H3
InChIKeyKLPPEZBHYAAHBS-UHFFFAOYSA-N
XLogP1.16
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.16
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 methyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate?
The IUPAC name of methyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate (CID 53350286) is methyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate.
What is the SMILES notation for methyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate?
The canonical SMILES for methyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate is COC(=O)C1Cc2cccc(N)c2C1.
What is the InChIKey of methyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate?
The InChIKey is KLPPEZBHYAAHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-14-11(13)8-5-7-3-2-4-10(12)9(7)6-8/h2-4,8H,5-6,12H2,1H3.
What are the key properties of methyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate?
methyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate has a molecular weight of 191.23 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-2,3-dihydro-1H-indene-2-carboxylate is sourced from PubChem (CID 53350286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).