6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole

C15H19NO — CID 65335451

IUPAC6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
SMILESCOc1ccc2[nH]c3c(c2c1)CC(C)(C)CC3
InChIInChI=1S/C15H19NO/c1-15(2)7-6-14-12(9-15)11-8-10(17-3)4-5-13(11)16-14/h4-5,8,16H,6-7,9H2,1-3H3
InChIKeyKJYOESADQDMVDO-UHFFFAOYSA-N
MW229.32 g/mol
LogP3.69
Rot. Bonds1

About 6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole

6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole (PubChem CID 65335451) has the molecular formula C15H19NO and a molecular weight of 229.32 g/mol. Its IUPAC name is 6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole.

Molecular Properties

Compound Name6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
PubChem CID65335451
Molecular FormulaC15H19NO
Molecular Weight229.32 g/mol
Exact Mass229.15
IUPAC Name6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole
SMILESCOc1ccc2[nH]c3c(c2c1)CC(C)(C)CC3
InChIInChI=1S/C15H19NO/c1-15(2)7-6-14-12(9-15)11-8-10(17-3)4-5-13(11)16-14/h4-5,8,16H,6-7,9H2,1-3H3
InChIKeyKJYOESADQDMVDO-UHFFFAOYSA-N
XLogP3.69
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazol-3-yl)methanamine;hydrochloride
CID 70573974
ethyl 6-methoxy-3-phenyl-1,2,4,9-tetrahydrocarbazole-3-carboxylate
CID 70535381
2,2,7-trimethyl-1,3,4,10-tetrahydroacridin-9-one
CID 53362162
7-chloro-2,2-dimethyl-1,3,4,10-tetrahydroacridin-9-one
CID 53362205
6-methoxyspiro[2,3,4,9-tetrahydropyrido[3,4-b]indole-1,1'-cyclopentane]
CID 17339270
6-methoxy-2,2-dimethyl-1,3,4,9-tetrahydrocarbazol-4-ol
CID 65333336
3-tert-butyl-6-methoxy-2,3,4,9-tetrahydro-1H-carbazole
CID 65335189
(2R)-9-methoxy-2,3-dimethyl-2,4,5,6-tetrahydro-1H-azepino[4,5-b]indole
CID 168957107
6-methoxy-N,2,2-trimethyl-1,3,4,9-tetrahydrocarbazol-4-amine
CID 65333211
6-methoxy-1-methyl-2,3,4,9-tetrahydrocarbazole-1-carboxylic acid
CID 84742547
1-(6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-3-yl)-N-methylmethanamine
CID 83843557
6-methoxy-1,2-dimethyl-4,9-dihydro-3H-pyrido[3,4-b]indol-2-ium
CID 102446924

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole?
The IUPAC name of 6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole (CID 65335451) is 6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole.
What is the SMILES notation for 6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole?
The canonical SMILES for 6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole is COc1ccc2[nH]c3c(c2c1)CC(C)(C)CC3.
What is the InChIKey of 6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole?
The InChIKey is KJYOESADQDMVDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO/c1-15(2)7-6-14-12(9-15)11-8-10(17-3)4-5-13(11)16-14/h4-5,8,16H,6-7,9H2,1-3H3.
What are the key properties of 6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole?
6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole has a molecular weight of 229.32 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,3-dimethyl-1,2,4,9-tetrahydrocarbazole is sourced from PubChem (CID 65335451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).