methyl 2-amino-6-chloro-3-oxo-1H-indene-2-carboxylate;hydrochloride

C11H11Cl2NO3 — CID 19710615

IUPACmethyl 2-amino-6-chloro-3-oxo-1H-indene-2-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)Cc2cc(Cl)ccc2C1=O.Cl
InChIInChI=1S/C11H10ClNO3.ClH/c1-16-10(15)11(13)5-6-4-7(12)2-3-8(6)9(11)14;/h2-4H,5,13H2,1H3;1H
InChIKeyCIDSOMYWDHXDHS-UHFFFAOYSA-N
MW276.12 g/mol
LogP1.37
Rot. Bonds1

About methyl 2-amino-6-chloro-3-oxo-1H-indene-2-carboxylate;hydrochloride

methyl 2-amino-6-chloro-3-oxo-1H-indene-2-carboxylate;hydrochloride (PubChem CID 19710615) has the molecular formula C11H11Cl2NO3 and a molecular weight of 276.12 g/mol. Its IUPAC name is methyl 2-amino-6-chloro-3-oxo-1H-indene-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-6-chloro-3-oxo-1H-indene-2-carboxylate;hydrochloride
PubChem CID19710615
Molecular FormulaC11H11Cl2NO3
Molecular Weight276.12 g/mol
Exact Mass275.01
IUPAC Namemethyl 2-amino-6-chloro-3-oxo-1H-indene-2-carboxylate;hydrochloride
SMILESCOC(=O)C1(N)Cc2cc(Cl)ccc2C1=O.Cl
InChIInChI=1S/C11H10ClNO3.ClH/c1-16-10(15)11(13)5-6-4-7(12)2-3-8(6)9(11)14;/h2-4H,5,13H2,1H3;1H
InChIKeyCIDSOMYWDHXDHS-UHFFFAOYSA-N
XLogP1.37
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-chloro-3-oxo-1H-indene-2-carboxylate;hydrochloride?
The IUPAC name of methyl 2-amino-6-chloro-3-oxo-1H-indene-2-carboxylate;hydrochloride (CID 19710615) is methyl 2-amino-6-chloro-3-oxo-1H-indene-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-amino-6-chloro-3-oxo-1H-indene-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-amino-6-chloro-3-oxo-1H-indene-2-carboxylate;hydrochloride is COC(=O)C1(N)Cc2cc(Cl)ccc2C1=O.Cl.
What is the InChIKey of methyl 2-amino-6-chloro-3-oxo-1H-indene-2-carboxylate;hydrochloride?
The InChIKey is CIDSOMYWDHXDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3.ClH/c1-16-10(15)11(13)5-6-4-7(12)2-3-8(6)9(11)14;/h2-4H,5,13H2,1H3;1H.
What are the key properties of methyl 2-amino-6-chloro-3-oxo-1H-indene-2-carboxylate;hydrochloride?
methyl 2-amino-6-chloro-3-oxo-1H-indene-2-carboxylate;hydrochloride has a molecular weight of 276.12 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-chloro-3-oxo-1H-indene-2-carboxylate;hydrochloride is sourced from PubChem (CID 19710615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).