methyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate

C17H21NO3 — CID 101347837

IUPACmethyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate
SMILESCOC(=O)CC1CCCc2c1c1cc(OC)ccc1n2C
InChIInChI=1S/C17H21NO3/c1-18-14-8-7-12(20-2)10-13(14)17-11(9-16(19)21-3)5-4-6-15(17)18/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyZEFWCKKFNMFTJF-UHFFFAOYSA-N
MW287.36 g/mol
LogP3.17
Rot. Bonds3

About methyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate

methyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate (PubChem CID 101347837) has the molecular formula C17H21NO3 and a molecular weight of 287.36 g/mol. Its IUPAC name is methyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate
PubChem CID101347837
Molecular FormulaC17H21NO3
Molecular Weight287.36 g/mol
Exact Mass287.15
IUPAC Namemethyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate
SMILESCOC(=O)CC1CCCc2c1c1cc(OC)ccc1n2C
InChIInChI=1S/C17H21NO3/c1-18-14-8-7-12(20-2)10-13(14)17-11(9-16(19)21-3)5-4-6-15(17)18/h7-8,10-11H,4-6,9H2,1-3H3
InChIKeyZEFWCKKFNMFTJF-UHFFFAOYSA-N
XLogP3.17
TPSA40.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-methoxy-5-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]indol-10-yl)methanamine
CID 10563187
N-[(7-methoxy-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-1-yl)methyl]cyclopropanecarboxamide
CID 10685494
N-[(6-chloro-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)methyl]acetamide
CID 10827392
1-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-1-yl)-N-methylmethanamine
CID 84637264
2-(6-methoxy-1,2,3,4-tetrahydrophenanthren-4-yl)acetic acid
CID 141011089
methyl 2-(6-methoxy-1-methyl-2,3-dihydroindol-3-yl)acetate
CID 115040747
6-methoxy-N,9-dimethyl-1,2,3,4-tetrahydrocarbazol-2-amine
CID 84631436
7-methoxy-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxamide
CID 54541909
2-(cyclopropylamino)-1-(5-methoxy-1,2-dimethylindol-3-yl)ethanone
CID 96679476
methyl 7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-1-carboxylate
CID 102568775
6-methoxy-4-(1-methylpiperidin-4-yl)-2,3-dihydro-1H-pyrrolo[1,2-a]indole
CID 69419460
methyl 3-[(5-methoxy-1,2-dimethylindole-3-carbonyl)amino]cyclohexene-1-carboxylate
CID 118669142

Frequently Asked Questions

What is the IUPAC name of methyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate?
The IUPAC name of methyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate (CID 101347837) is methyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate.
What is the SMILES notation for methyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate?
The canonical SMILES for methyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate is COC(=O)CC1CCCc2c1c1cc(OC)ccc1n2C.
What is the InChIKey of methyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate?
The InChIKey is ZEFWCKKFNMFTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO3/c1-18-14-8-7-12(20-2)10-13(14)17-11(9-16(19)21-3)5-4-6-15(17)18/h7-8,10-11H,4-6,9H2,1-3H3.
What are the key properties of methyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate?
methyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate has a molecular weight of 287.36 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(6-methoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-4-yl)acetate is sourced from PubChem (CID 101347837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).