methyl 9-(oxan-4-yl)carbazole-3-carboxylate

C19H19NO3 — CID 59626411

IUPACmethyl 9-(oxan-4-yl)carbazole-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c1ccccc1n2C1CCOCC1
InChIInChI=1S/C19H19NO3/c1-22-19(21)13-6-7-18-16(12-13)15-4-2-3-5-17(15)20(18)14-8-10-23-11-9-14/h2-7,12,14H,8-11H2,1H3
InChIKeyPARKOYZKBVVOBV-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.93
Rot. Bonds2

About methyl 9-(oxan-4-yl)carbazole-3-carboxylate

methyl 9-(oxan-4-yl)carbazole-3-carboxylate (PubChem CID 59626411) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl 9-(oxan-4-yl)carbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-(oxan-4-yl)carbazole-3-carboxylate
PubChem CID59626411
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namemethyl 9-(oxan-4-yl)carbazole-3-carboxylate
SMILESCOC(=O)c1ccc2c(c1)c1ccccc1n2C1CCOCC1
InChIInChI=1S/C19H19NO3/c1-22-19(21)13-6-7-18-16(12-13)15-4-2-3-5-17(15)20(18)14-8-10-23-11-9-14/h2-7,12,14H,8-11H2,1H3
InChIKeyPARKOYZKBVVOBV-UHFFFAOYSA-N
XLogP3.93
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-methyl-9-(oxan-4-yl)carbazole-2-carboxylate
CID 59626225
methyl 9-(4-oxocyclohexyl)carbazole-2-carboxylate
CID 59626191
methyl 9-(1-acetylpiperidin-4-yl)carbazole-2-carboxylate
CID 59626440
N-(1-aminoethylidene)-9-(oxan-4-yl)carbazole-2-carboxamide
CID 143732928
methyl 9-phenylcarbazole-3-carboxylate
CID 164892004
9-[(3R)-oxolan-3-yl]carbazole-2-carboxylic acid
CID 59626371
methyl 2-bromo-1-cyclohexyl-3-methylindole-5-carboxylate
CID 58907401
N-[1-amino-3-(4-methoxyphenyl)propylidene]-9-(oxan-4-yl)carbazole-2-carboxamide
CID 59626548
methyl 1-cyclopropyl-2-oxo-3H-benzimidazole-5-carboxylate
CID 83415039
9-cyclohexyl-N-propylcarbazole-3-carboxamide
CID 69163886
ethane;methyl 5-methylsulfinyl-2-(oxan-4-yl)-3,4-dihydro-1H-pyrido[4,3-b]indole-8-carboxylate
CID 143647993
ethyl 5-chloro-9-(oxan-4-yl)carbazole-2-carboxylate
CID 24992445

Frequently Asked Questions

What is the IUPAC name of methyl 9-(oxan-4-yl)carbazole-3-carboxylate?
The IUPAC name of methyl 9-(oxan-4-yl)carbazole-3-carboxylate (CID 59626411) is methyl 9-(oxan-4-yl)carbazole-3-carboxylate.
What is the SMILES notation for methyl 9-(oxan-4-yl)carbazole-3-carboxylate?
The canonical SMILES for methyl 9-(oxan-4-yl)carbazole-3-carboxylate is COC(=O)c1ccc2c(c1)c1ccccc1n2C1CCOCC1.
What is the InChIKey of methyl 9-(oxan-4-yl)carbazole-3-carboxylate?
The InChIKey is PARKOYZKBVVOBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-22-19(21)13-6-7-18-16(12-13)15-4-2-3-5-17(15)20(18)14-8-10-23-11-9-14/h2-7,12,14H,8-11H2,1H3.
What are the key properties of methyl 9-(oxan-4-yl)carbazole-3-carboxylate?
methyl 9-(oxan-4-yl)carbazole-3-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-(oxan-4-yl)carbazole-3-carboxylate is sourced from PubChem (CID 59626411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).