methyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate

C20H19NO3 — CID 59626191

IUPACmethyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate
SMILESCOC(=O)c1ccc2c3ccccc3n(C3CCC(=O)CC3)c2c1
InChIInChI=1S/C20H19NO3/c1-24-20(23)13-6-11-17-16-4-2-3-5-18(16)21(19(17)12-13)14-7-9-15(22)10-8-14/h2-6,11-12,14H,7-10H2,1H3
InChIKeyLXRSDWOUZLBEDQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.27
Rot. Bonds2

About methyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate

methyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate (PubChem CID 59626191) has the molecular formula C20H19NO3 and a molecular weight of 321.38 g/mol. Its IUPAC name is methyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate
PubChem CID59626191
Molecular FormulaC20H19NO3
Molecular Weight321.38 g/mol
Exact Mass321.14
IUPAC Namemethyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate
SMILESCOC(=O)c1ccc2c3ccccc3n(C3CCC(=O)CC3)c2c1
InChIInChI=1S/C20H19NO3/c1-24-20(23)13-6-11-17-16-4-2-3-5-18(16)21(19(17)12-13)14-7-9-15(22)10-8-14/h2-6,11-12,14H,7-10H2,1H3
InChIKeyLXRSDWOUZLBEDQ-UHFFFAOYSA-N
XLogP4.27
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 9-(1-acetylpiperidin-4-yl)carbazole-2-carboxylate
CID 59626440
methyl 9-(oxan-4-yl)carbazole-3-carboxylate
CID 59626411
9-(4-hydroxycyclohexyl)carbazole-2-carboxylic acid
CID 24992779
methyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate
CID 59626225
methyl 9-thiophen-2-ylcarbazole-2-carboxylate
CID 59626526
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
methyl 9-phenylcarbazole-3-carboxylate
CID 164892004
N-(1-aminoethylidene)-9-(oxan-4-yl)carbazole-2-carboxamide
CID 143732928
methyl 11-cyclohexyl-6-hydroxy-6H-isoindolo[2,1-a]indole-3-carboxylate
CID 11552259
methyl 20-cyclohexyl-9-cyclooctyl-19-oxo-2,9,11,20-tetrazapentacyclo[10.8.0.02,10.03,8.013,18]icosa-1(12),3(8),4,6,10,13,15,17-octaene-5-carboxylate
CID 71681961
2-hydroxy-1-[9-(oxan-3-yl)carbazol-2-yl]ethanone
CID 70955532
methyl 4-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2,4,6,8,10,12(19),13,15,17-nonaen-10-yl)benzoate
CID 176895812

Frequently Asked Questions

What is the IUPAC name of methyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate?
The IUPAC name of methyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate (CID 59626191) is methyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate.
What is the SMILES notation for methyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate?
The canonical SMILES for methyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate is COC(=O)c1ccc2c3ccccc3n(C3CCC(=O)CC3)c2c1.
What is the InChIKey of methyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate?
The InChIKey is LXRSDWOUZLBEDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO3/c1-24-20(23)13-6-11-17-16-4-2-3-5-18(16)21(19(17)12-13)14-7-9-15(22)10-8-14/h2-6,11-12,14H,7-10H2,1H3.
What are the key properties of methyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate?
methyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate is sourced from PubChem (CID 59626191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).