6,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazole

C14H17NO2 — CID 14265020

IUPAC6,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazole
SMILESCOc1cc2[nH]c3c(c2cc1OC)CCCC3
InChIInChI=1S/C14H17NO2/c1-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14(13)17-2/h7-8,15H,3-6H2,1-2H3
InChIKeyCUEQVFQQHAVXGU-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.06
Rot. Bonds2

About 6,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazole

6,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazole (PubChem CID 14265020) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 6,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazole.

Molecular Properties

Compound Name6,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazole
PubChem CID14265020
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name6,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazole
SMILESCOc1cc2[nH]c3c(c2cc1OC)CCCC3
InChIInChI=1S/C14H17NO2/c1-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14(13)17-2/h7-8,15H,3-6H2,1-2H3
InChIKeyCUEQVFQQHAVXGU-UHFFFAOYSA-N
XLogP3.06
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.06
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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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazole?
The IUPAC name of 6,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazole (CID 14265020) is 6,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazole.
What is the SMILES notation for 6,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazole?
The canonical SMILES for 6,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazole is COc1cc2[nH]c3c(c2cc1OC)CCCC3.
What is the InChIKey of 6,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazole?
The InChIKey is CUEQVFQQHAVXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-16-13-7-10-9-5-3-4-6-11(9)15-12(10)8-14(13)17-2/h7-8,15H,3-6H2,1-2H3.
What are the key properties of 6,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazole?
6,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazole has a molecular weight of 231.29 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-2,3,4,9-tetrahydro-1H-carbazole is sourced from PubChem (CID 14265020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).