methyl 9-ethyl-6,6-dimethyl-7,8-dihydro-5H-carbazole-3-carboxylate

C18H23NO2 — CID 68883697

IUPACmethyl 9-ethyl-6,6-dimethyl-7,8-dihydro-5H-carbazole-3-carboxylate
SMILESCCn1c2c(c3cc(C(=O)OC)ccc31)CC(C)(C)CC2
InChIInChI=1S/C18H23NO2/c1-5-19-15-7-6-12(17(20)21-4)10-13(15)14-11-18(2,3)9-8-16(14)19/h6-7,10H,5,8-9,11H2,1-4H3
InChIKeyXUKMXKQKQXJCPD-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.96
Rot. Bonds2

About methyl 9-ethyl-6,6-dimethyl-7,8-dihydro-5H-carbazole-3-carboxylate

methyl 9-ethyl-6,6-dimethyl-7,8-dihydro-5H-carbazole-3-carboxylate (PubChem CID 68883697) has the molecular formula C18H23NO2 and a molecular weight of 285.39 g/mol. Its IUPAC name is methyl 9-ethyl-6,6-dimethyl-7,8-dihydro-5H-carbazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 9-ethyl-6,6-dimethyl-7,8-dihydro-5H-carbazole-3-carboxylate
PubChem CID68883697
Molecular FormulaC18H23NO2
Molecular Weight285.39 g/mol
Exact Mass285.17
IUPAC Namemethyl 9-ethyl-6,6-dimethyl-7,8-dihydro-5H-carbazole-3-carboxylate
SMILESCCn1c2c(c3cc(C(=O)OC)ccc31)CC(C)(C)CC2
InChIInChI=1S/C18H23NO2/c1-5-19-15-7-6-12(17(20)21-4)10-13(15)14-11-18(2,3)9-8-16(14)19/h6-7,10H,5,8-9,11H2,1-4H3
InChIKeyXUKMXKQKQXJCPD-UHFFFAOYSA-N
XLogP3.96
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 9-ethyl-6,6-dimethyl-7,8-dihydro-5H-carbazole-3-carboxylate?
The IUPAC name of methyl 9-ethyl-6,6-dimethyl-7,8-dihydro-5H-carbazole-3-carboxylate (CID 68883697) is methyl 9-ethyl-6,6-dimethyl-7,8-dihydro-5H-carbazole-3-carboxylate.
What is the SMILES notation for methyl 9-ethyl-6,6-dimethyl-7,8-dihydro-5H-carbazole-3-carboxylate?
The canonical SMILES for methyl 9-ethyl-6,6-dimethyl-7,8-dihydro-5H-carbazole-3-carboxylate is CCn1c2c(c3cc(C(=O)OC)ccc31)CC(C)(C)CC2.
What is the InChIKey of methyl 9-ethyl-6,6-dimethyl-7,8-dihydro-5H-carbazole-3-carboxylate?
The InChIKey is XUKMXKQKQXJCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO2/c1-5-19-15-7-6-12(17(20)21-4)10-13(15)14-11-18(2,3)9-8-16(14)19/h6-7,10H,5,8-9,11H2,1-4H3.
What are the key properties of methyl 9-ethyl-6,6-dimethyl-7,8-dihydro-5H-carbazole-3-carboxylate?
methyl 9-ethyl-6,6-dimethyl-7,8-dihydro-5H-carbazole-3-carboxylate has a molecular weight of 285.39 g/mol, XLogP of 3.96, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-ethyl-6,6-dimethyl-7,8-dihydro-5H-carbazole-3-carboxylate is sourced from PubChem (CID 68883697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).