methyl 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride

C15H15ClN2O2 — CID 171367133

IUPACmethyl 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(c1)c1cc(N)ccc1n2C.Cl
InChIInChI=1S/C15H14N2O2.ClH/c1-17-13-5-3-9(15(18)19-2)7-11(13)12-8-10(16)4-6-14(12)17;/h3-8H,16H2,1-2H3;1H
InChIKeyGLZDEAOBGSHRBL-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.12
Rot. Bonds1

About methyl 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride

methyl 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride (PubChem CID 171367133) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is methyl 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride
PubChem CID171367133
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Namemethyl 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride
SMILESCOC(=O)c1ccc2c(c1)c1cc(N)ccc1n2C.Cl
InChIInChI=1S/C15H14N2O2.ClH/c1-17-13-5-3-9(15(18)19-2)7-11(13)12-8-10(16)4-6-14(12)17;/h3-8H,16H2,1-2H3;1H
InChIKeyGLZDEAOBGSHRBL-UHFFFAOYSA-N
XLogP3.12
TPSA57.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride?
The IUPAC name of methyl 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride (CID 171367133) is methyl 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride is COC(=O)c1ccc2c(c1)c1cc(N)ccc1n2C.Cl.
What is the InChIKey of methyl 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride?
The InChIKey is GLZDEAOBGSHRBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2.ClH/c1-17-13-5-3-9(15(18)19-2)7-11(13)12-8-10(16)4-6-14(12)17;/h3-8H,16H2,1-2H3;1H.
What are the key properties of methyl 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride?
methyl 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride has a molecular weight of 290.75 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-9-methylcarbazole-3-carboxylate;hydrochloride is sourced from PubChem (CID 171367133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).