methyl 2-amino-4-chloro-1,3-dihydroindene-2-carboxylate

C11H12ClNO2 — CID 156862923

IUPACmethyl 2-amino-4-chloro-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)C1(N)Cc2cccc(Cl)c2C1
InChIInChI=1S/C11H12ClNO2/c1-15-10(14)11(13)5-7-3-2-4-9(12)8(7)6-11/h2-4H,5-6,13H2,1H3
InChIKeyKDQPVGYYMSYIJP-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.31
Rot. Bonds1

About methyl 2-amino-4-chloro-1,3-dihydroindene-2-carboxylate

methyl 2-amino-4-chloro-1,3-dihydroindene-2-carboxylate (PubChem CID 156862923) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is methyl 2-amino-4-chloro-1,3-dihydroindene-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-4-chloro-1,3-dihydroindene-2-carboxylate
PubChem CID156862923
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Namemethyl 2-amino-4-chloro-1,3-dihydroindene-2-carboxylate
SMILESCOC(=O)C1(N)Cc2cccc(Cl)c2C1
InChIInChI=1S/C11H12ClNO2/c1-15-10(14)11(13)5-7-3-2-4-9(12)8(7)6-11/h2-4H,5-6,13H2,1H3
InChIKeyKDQPVGYYMSYIJP-UHFFFAOYSA-N
XLogP1.31
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-chloro-1,3-dihydroindene-2-carboxylate?
The IUPAC name of methyl 2-amino-4-chloro-1,3-dihydroindene-2-carboxylate (CID 156862923) is methyl 2-amino-4-chloro-1,3-dihydroindene-2-carboxylate.
What is the SMILES notation for methyl 2-amino-4-chloro-1,3-dihydroindene-2-carboxylate?
The canonical SMILES for methyl 2-amino-4-chloro-1,3-dihydroindene-2-carboxylate is COC(=O)C1(N)Cc2cccc(Cl)c2C1.
What is the InChIKey of methyl 2-amino-4-chloro-1,3-dihydroindene-2-carboxylate?
The InChIKey is KDQPVGYYMSYIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-15-10(14)11(13)5-7-3-2-4-9(12)8(7)6-11/h2-4H,5-6,13H2,1H3.
What are the key properties of methyl 2-amino-4-chloro-1,3-dihydroindene-2-carboxylate?
methyl 2-amino-4-chloro-1,3-dihydroindene-2-carboxylate has a molecular weight of 225.68 g/mol, XLogP of 1.31, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-chloro-1,3-dihydroindene-2-carboxylate is sourced from PubChem (CID 156862923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).