5-methoxy-2,3,7-trimethyl-2,3-dihydro-1H-indole

C12H17NO — CID 139234360

IUPAC5-methoxy-2,3,7-trimethyl-2,3-dihydro-1H-indole
SMILESCOc1cc(C)c2c(c1)C(C)C(C)N2
InChIInChI=1S/C12H17NO/c1-7-5-10(14-4)6-11-8(2)9(3)13-12(7)11/h5-6,8-9,13H,1-4H3
InChIKeyMTSGVUPGSOYSFI-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.92
Rot. Bonds1

About 5-methoxy-2,3,7-trimethyl-2,3-dihydro-1H-indole

5-methoxy-2,3,7-trimethyl-2,3-dihydro-1H-indole (PubChem CID 139234360) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 5-methoxy-2,3,7-trimethyl-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name5-methoxy-2,3,7-trimethyl-2,3-dihydro-1H-indole
PubChem CID139234360
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name5-methoxy-2,3,7-trimethyl-2,3-dihydro-1H-indole
SMILESCOc1cc(C)c2c(c1)C(C)C(C)N2
InChIInChI=1S/C12H17NO/c1-7-5-10(14-4)6-11-8(2)9(3)13-12(7)11/h5-6,8-9,13H,1-4H3
InChIKeyMTSGVUPGSOYSFI-UHFFFAOYSA-N
XLogP2.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

5-methoxy-2,3-dihydro-1H-indole
CID 10701974
5-(3-piperidin-1-ylpropoxy)-2,3-dihydro-1H-indole
CID 11724369
n,n-Dimethyl 2-(5-methoxy-2,3-dihydro-1h-indol-3-yl)ethylamine
CID 11806221
2-(6-methoxy-2,3-dihydro-1H-indol-3-yl)-N,N-dimethylethanamine
CID 44359556
4-methoxy-2,3-dihydro-1H-indole
CID 16244441
5,6-Dimethoxyindoline
CID 11062978
7-Methoxy-2,3-dihydro-1H-indole
CID 14849554
5-(Benzyloxy)-2,3-dihydro-1H-indole
CID 16794881
benzyl (4aS,9bR)-8-methoxy-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate
CID 11964544
benzyl (4aS,9bR)-8-methoxy-6-methyl-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate
CID 44409466
tert-butyl (4aS,9bR)-8-methoxy-1,3,4,4a,5,9b-hexahydropyrido[4,3-b]indole-2-carboxylate
CID 44409532
(1S,15S,17S)-17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-4(9),5,7-triene
CID 46878220

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,3,7-trimethyl-2,3-dihydro-1H-indole?
The IUPAC name of 5-methoxy-2,3,7-trimethyl-2,3-dihydro-1H-indole (CID 139234360) is 5-methoxy-2,3,7-trimethyl-2,3-dihydro-1H-indole.
What is the SMILES notation for 5-methoxy-2,3,7-trimethyl-2,3-dihydro-1H-indole?
The canonical SMILES for 5-methoxy-2,3,7-trimethyl-2,3-dihydro-1H-indole is COc1cc(C)c2c(c1)C(C)C(C)N2.
What is the InChIKey of 5-methoxy-2,3,7-trimethyl-2,3-dihydro-1H-indole?
The InChIKey is MTSGVUPGSOYSFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-7-5-10(14-4)6-11-8(2)9(3)13-12(7)11/h5-6,8-9,13H,1-4H3.
What are the key properties of 5-methoxy-2,3,7-trimethyl-2,3-dihydro-1H-indole?
5-methoxy-2,3,7-trimethyl-2,3-dihydro-1H-indole has a molecular weight of 191.27 g/mol, XLogP of 2.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,3,7-trimethyl-2,3-dihydro-1H-indole is sourced from PubChem (CID 139234360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).