methyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate

C20H21NO3 — CID 59626225

IUPACmethyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate
SMILESCOC(=O)c1ccc2c3c(C)cccc3n(C3CCOCC3)c2c1
InChIInChI=1S/C20H21NO3/c1-13-4-3-5-17-19(13)16-7-6-14(20(22)23-2)12-18(16)21(17)15-8-10-24-11-9-15/h3-7,12,15H,8-11H2,1-2H3
InChIKeyCGUHEKKJRDUBHQ-UHFFFAOYSA-N
MW323.39 g/mol
LogP4.24
Rot. Bonds2

About methyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate

methyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate (PubChem CID 59626225) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is methyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate
PubChem CID59626225
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Namemethyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate
SMILESCOC(=O)c1ccc2c3c(C)cccc3n(C3CCOCC3)c2c1
InChIInChI=1S/C20H21NO3/c1-13-4-3-5-17-19(13)16-7-6-14(20(22)23-2)12-18(16)21(17)15-8-10-24-11-9-15/h3-7,12,15H,8-11H2,1-2H3
InChIKeyCGUHEKKJRDUBHQ-UHFFFAOYSA-N
XLogP4.24
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate?
The IUPAC name of methyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate (CID 59626225) is methyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate.
What is the SMILES notation for methyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate?
The canonical SMILES for methyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate is COC(=O)c1ccc2c3c(C)cccc3n(C3CCOCC3)c2c1.
What is the InChIKey of methyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate?
The InChIKey is CGUHEKKJRDUBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO3/c1-13-4-3-5-17-19(13)16-7-6-14(20(22)23-2)12-18(16)21(17)15-8-10-24-11-9-15/h3-7,12,15H,8-11H2,1-2H3.
What are the key properties of methyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate?
methyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate has a molecular weight of 323.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate is sourced from PubChem (CID 59626225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).