dimethyl 9-methyl-3,4-dihydrocarbazole-1,2-dicarboxylate

C17H17NO4 — CID 18366732

IUPACdimethyl 9-methyl-3,4-dihydrocarbazole-1,2-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)c2c(c3ccccc3n2C)CC1
InChIInChI=1S/C17H17NO4/c1-18-13-7-5-4-6-10(13)11-8-9-12(16(19)21-2)14(15(11)18)17(20)22-3/h4-7H,8-9H2,1-3H3
InChIKeyJXHJZUCQQBSNTH-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.22
Rot. Bonds2

About dimethyl 9-methyl-3,4-dihydrocarbazole-1,2-dicarboxylate

dimethyl 9-methyl-3,4-dihydrocarbazole-1,2-dicarboxylate (PubChem CID 18366732) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is dimethyl 9-methyl-3,4-dihydrocarbazole-1,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 9-methyl-3,4-dihydrocarbazole-1,2-dicarboxylate
PubChem CID18366732
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Namedimethyl 9-methyl-3,4-dihydrocarbazole-1,2-dicarboxylate
SMILESCOC(=O)C1=C(C(=O)OC)c2c(c3ccccc3n2C)CC1
InChIInChI=1S/C17H17NO4/c1-18-13-7-5-4-6-10(13)11-8-9-12(16(19)21-2)14(15(11)18)17(20)22-3/h4-7H,8-9H2,1-3H3
InChIKeyJXHJZUCQQBSNTH-UHFFFAOYSA-N
XLogP2.22
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(1-hydroxyethyl)-1-methylindole-3-carboxylate
CID 10704781
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methyl 1-hydroxy-9-methylcarbazole-3-carboxylate
CID 21192144
methyl 2-(2-cyanoethyl)-9-methyl-1-oxo-3,4-dihydrocarbazole-2-carboxylate
CID 11324349
3-(9-methyl-1-phenyl-3,4-dihydrocarbazol-2-yl)propanamide
CID 11472985
methyl 4-hydroxy-2,5-dimethyl-1,1-dioxothiazino[5,6-b]indole-3-carboxylate
CID 54684931
methyl 1-methyl-2-propylindole-3-carboxylate
CID 102080307
3-(2-methoxycarbonylcyclopenten-1-yl)-1-methyl-2-phenylindole-6-carboxylic acid
CID 21225024
methyl 4-methyl-3H-pyrrolo[2,3-b]indole-2-carboxylate
CID 13398396
methyl 1-methyl-3-sulfinamoylindole-2-carboxylate
CID 1209072
methyl (10R,11S,12R)-12-ethenyl-8-methyl-8,13-diazatetracyclo[7.6.0.02,7.010,13]pentadeca-1(9),2,4,6-tetraene-11-carboxylate
CID 10040228
methyl (1S,3R)-1-(4-methoxycarbonylphenyl)-9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indole-3-carboxylate
CID 139446558

Frequently Asked Questions

What is the IUPAC name of dimethyl 9-methyl-3,4-dihydrocarbazole-1,2-dicarboxylate?
The IUPAC name of dimethyl 9-methyl-3,4-dihydrocarbazole-1,2-dicarboxylate (CID 18366732) is dimethyl 9-methyl-3,4-dihydrocarbazole-1,2-dicarboxylate.
What is the SMILES notation for dimethyl 9-methyl-3,4-dihydrocarbazole-1,2-dicarboxylate?
The canonical SMILES for dimethyl 9-methyl-3,4-dihydrocarbazole-1,2-dicarboxylate is COC(=O)C1=C(C(=O)OC)c2c(c3ccccc3n2C)CC1.
What is the InChIKey of dimethyl 9-methyl-3,4-dihydrocarbazole-1,2-dicarboxylate?
The InChIKey is JXHJZUCQQBSNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-18-13-7-5-4-6-10(13)11-8-9-12(16(19)21-2)14(15(11)18)17(20)22-3/h4-7H,8-9H2,1-3H3.
What are the key properties of dimethyl 9-methyl-3,4-dihydrocarbazole-1,2-dicarboxylate?
dimethyl 9-methyl-3,4-dihydrocarbazole-1,2-dicarboxylate has a molecular weight of 299.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 9-methyl-3,4-dihydrocarbazole-1,2-dicarboxylate is sourced from PubChem (CID 18366732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).