dimethyl 4,9-dimethyl-3,4-dihydro-1H-carbazole-2,2-dicarboxylate

C18H21NO4 — CID 11174502

IUPACdimethyl 4,9-dimethyl-3,4-dihydro-1H-carbazole-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2c(c3ccccc3n2C)C(C)C1
InChIInChI=1S/C18H21NO4/c1-11-9-18(16(20)22-3,17(21)23-4)10-14-15(11)12-7-5-6-8-13(12)19(14)2/h5-8,11H,9-10H2,1-4H3
InChIKeyRORWZMBKGZPQHT-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.56
Rot. Bonds2

About dimethyl 4,9-dimethyl-3,4-dihydro-1H-carbazole-2,2-dicarboxylate

dimethyl 4,9-dimethyl-3,4-dihydro-1H-carbazole-2,2-dicarboxylate (PubChem CID 11174502) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is dimethyl 4,9-dimethyl-3,4-dihydro-1H-carbazole-2,2-dicarboxylate.

Molecular Properties

Compound Namedimethyl 4,9-dimethyl-3,4-dihydro-1H-carbazole-2,2-dicarboxylate
PubChem CID11174502
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Namedimethyl 4,9-dimethyl-3,4-dihydro-1H-carbazole-2,2-dicarboxylate
SMILESCOC(=O)C1(C(=O)OC)Cc2c(c3ccccc3n2C)C(C)C1
InChIInChI=1S/C18H21NO4/c1-11-9-18(16(20)22-3,17(21)23-4)10-14-15(11)12-7-5-6-8-13(12)19(14)2/h5-8,11H,9-10H2,1-4H3
InChIKeyRORWZMBKGZPQHT-UHFFFAOYSA-N
XLogP2.56
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl 4,9-dimethyl-3,4-dihydro-1H-carbazole-2,2-dicarboxylate?
The IUPAC name of dimethyl 4,9-dimethyl-3,4-dihydro-1H-carbazole-2,2-dicarboxylate (CID 11174502) is dimethyl 4,9-dimethyl-3,4-dihydro-1H-carbazole-2,2-dicarboxylate.
What is the SMILES notation for dimethyl 4,9-dimethyl-3,4-dihydro-1H-carbazole-2,2-dicarboxylate?
The canonical SMILES for dimethyl 4,9-dimethyl-3,4-dihydro-1H-carbazole-2,2-dicarboxylate is COC(=O)C1(C(=O)OC)Cc2c(c3ccccc3n2C)C(C)C1.
What is the InChIKey of dimethyl 4,9-dimethyl-3,4-dihydro-1H-carbazole-2,2-dicarboxylate?
The InChIKey is RORWZMBKGZPQHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-11-9-18(16(20)22-3,17(21)23-4)10-14-15(11)12-7-5-6-8-13(12)19(14)2/h5-8,11H,9-10H2,1-4H3.
What are the key properties of dimethyl 4,9-dimethyl-3,4-dihydro-1H-carbazole-2,2-dicarboxylate?
dimethyl 4,9-dimethyl-3,4-dihydro-1H-carbazole-2,2-dicarboxylate has a molecular weight of 315.37 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 4,9-dimethyl-3,4-dihydro-1H-carbazole-2,2-dicarboxylate is sourced from PubChem (CID 11174502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).