methyl 4-amino-1-methylpyrrole-2-carboxylate;hydrochloride

C7H11ClN2O2 — CID 2794656

IUPACmethyl 4-amino-1-methylpyrrole-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(N)cn1C.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-9-4-5(8)3-6(9)7(10)11-2;/h3-4H,8H2,1-2H3;1H
InChIKeyHEOKCJUUKIPIMM-UHFFFAOYSA-N
MW190.63 g/mol
LogP0.82
Rot. Bonds1

About methyl 4-amino-1-methylpyrrole-2-carboxylate;hydrochloride

methyl 4-amino-1-methylpyrrole-2-carboxylate;hydrochloride (PubChem CID 2794656) has the molecular formula C7H11ClN2O2 and a molecular weight of 190.63 g/mol. Its IUPAC name is methyl 4-amino-1-methylpyrrole-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 4-amino-1-methylpyrrole-2-carboxylate;hydrochloride
PubChem CID2794656
Molecular FormulaC7H11ClN2O2
Molecular Weight190.63 g/mol
Exact Mass190.05
IUPAC Namemethyl 4-amino-1-methylpyrrole-2-carboxylate;hydrochloride
SMILESCOC(=O)c1cc(N)cn1C.Cl
InChIInChI=1S/C7H10N2O2.ClH/c1-9-4-5(8)3-6(9)7(10)11-2;/h3-4H,8H2,1-2H3;1H
InChIKeyHEOKCJUUKIPIMM-UHFFFAOYSA-N
XLogP0.82
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.63
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-1-methylpyrrole-2-carboxylate;hydrochloride?
The IUPAC name of methyl 4-amino-1-methylpyrrole-2-carboxylate;hydrochloride (CID 2794656) is methyl 4-amino-1-methylpyrrole-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 4-amino-1-methylpyrrole-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 4-amino-1-methylpyrrole-2-carboxylate;hydrochloride is COC(=O)c1cc(N)cn1C.Cl.
What is the InChIKey of methyl 4-amino-1-methylpyrrole-2-carboxylate;hydrochloride?
The InChIKey is HEOKCJUUKIPIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2.ClH/c1-9-4-5(8)3-6(9)7(10)11-2;/h3-4H,8H2,1-2H3;1H.
What are the key properties of methyl 4-amino-1-methylpyrrole-2-carboxylate;hydrochloride?
methyl 4-amino-1-methylpyrrole-2-carboxylate;hydrochloride has a molecular weight of 190.63 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-1-methylpyrrole-2-carboxylate;hydrochloride is sourced from PubChem (CID 2794656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).