methyl 2-(9-methylcarbazol-2-yl)acetate

C16H15NO2 — CID 2296002

IUPACmethyl 2-(9-methylcarbazol-2-yl)acetate
SMILESCOC(=O)Cc1ccc2c3ccccc3n(C)c2c1
InChIInChI=1S/C16H15NO2/c1-17-14-6-4-3-5-12(14)13-8-7-11(9-15(13)17)10-16(18)19-2/h3-9H,10H2,1-2H3
InChIKeyNLTJDZSEIUNBBV-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.05
Rot. Bonds2

About methyl 2-(9-methylcarbazol-2-yl)acetate

methyl 2-(9-methylcarbazol-2-yl)acetate (PubChem CID 2296002) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-(9-methylcarbazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(9-methylcarbazol-2-yl)acetate
PubChem CID2296002
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Namemethyl 2-(9-methylcarbazol-2-yl)acetate
SMILESCOC(=O)Cc1ccc2c3ccccc3n(C)c2c1
InChIInChI=1S/C16H15NO2/c1-17-14-6-4-3-5-12(14)13-8-7-11(9-15(13)17)10-16(18)19-2/h3-9H,10H2,1-2H3
InChIKeyNLTJDZSEIUNBBV-UHFFFAOYSA-N
XLogP3.05
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(9-methylcarbazol-2-yl)acetate?
The IUPAC name of methyl 2-(9-methylcarbazol-2-yl)acetate (CID 2296002) is methyl 2-(9-methylcarbazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(9-methylcarbazol-2-yl)acetate?
The canonical SMILES for methyl 2-(9-methylcarbazol-2-yl)acetate is COC(=O)Cc1ccc2c3ccccc3n(C)c2c1.
What is the InChIKey of methyl 2-(9-methylcarbazol-2-yl)acetate?
The InChIKey is NLTJDZSEIUNBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-17-14-6-4-3-5-12(14)13-8-7-11(9-15(13)17)10-16(18)19-2/h3-9H,10H2,1-2H3.
What are the key properties of methyl 2-(9-methylcarbazol-2-yl)acetate?
methyl 2-(9-methylcarbazol-2-yl)acetate has a molecular weight of 253.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(9-methylcarbazol-2-yl)acetate is sourced from PubChem (CID 2296002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).