methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate

C14H15NO2 — CID 12762686

IUPACmethyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
SMILESCOC(=O)C1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C14H15NO2/c1-17-14(16)9-6-7-11-10-4-2-3-5-12(10)15-13(11)8-9/h2-5,9,15H,6-8H2,1H3
InChIKeySXCXSZAIKFRPQY-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.45
Rot. Bonds1

About methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate

methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate (PubChem CID 12762686) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate.

Molecular Properties

Compound Namemethyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
PubChem CID12762686
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
SMILESCOC(=O)C1CCc2c([nH]c3ccccc23)C1
InChIInChI=1S/C14H15NO2/c1-17-14(16)9-6-7-11-10-4-2-3-5-12(10)15-13(11)8-9/h2-5,9,15H,6-8H2,1H3
InChIKeySXCXSZAIKFRPQY-UHFFFAOYSA-N
XLogP2.45
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

methyl 1,2,3,4-tetrahydrocyclopenta[b]indole-2-carboxylate
CID 102568781
(2S)-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate
CID 86306921
2,3,4,9-tetrahydro-1H-carbazol-2-ylcarbamic acid
CID 20529231
N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)acetamide
CID 20529236
2-methyl-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)propanamide
CID 84581853
methyl (3S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate;dihydrochloride
CID 156599856
methyl 2-oxido-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-2-ium-3-carboxylate
CID 141093622
N-methoxy-N-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 169084126
methyl N-(1,2,3,4-tetrahydrocyclopenta[b]indol-2-yl)carbamate
CID 84581597
(3R)-N'-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carbohydrazide
CID 162349920
N-(2,2-dimethoxyethyl)-2,3,4,9-tetrahydro-1H-carbazole-3-carboxamide
CID 23249177
2-chloro-N-(2,3,4,9-tetrahydro-1H-carbazol-2-yl)benzamide
CID 84579227

Frequently Asked Questions

What is the IUPAC name of methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate?
The IUPAC name of methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate (CID 12762686) is methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate.
What is the SMILES notation for methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate?
The canonical SMILES for methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate is COC(=O)C1CCc2c([nH]c3ccccc23)C1.
What is the InChIKey of methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate?
The InChIKey is SXCXSZAIKFRPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-17-14(16)9-6-7-11-10-4-2-3-5-12(10)15-13(11)8-9/h2-5,9,15H,6-8H2,1H3.
What are the key properties of methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate?
methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,3,4,9-tetrahydro-1H-carbazole-2-carboxylate is sourced from PubChem (CID 12762686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).