6-methyl-3,5,7,8-tetrahydrodioxolo[3,4-g]isoquinoline

C11H13NO2 — CID 23618500

IUPAC6-methyl-3,5,7,8-tetrahydrodioxolo[3,4-g]isoquinoline
SMILESCN1CCc2cc3c(cc2C1)COO3
InChIInChI=1S/C11H13NO2/c1-12-3-2-8-5-11-10(7-13-14-11)4-9(8)6-12/h4-5H,2-3,6-7H2,1H3
InChIKeyFUEVXDSAWVRASL-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.50
Rot. Bonds

About 6-methyl-3,5,7,8-tetrahydrodioxolo[3,4-g]isoquinoline

6-methyl-3,5,7,8-tetrahydrodioxolo[3,4-g]isoquinoline (PubChem CID 23618500) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is 6-methyl-3,5,7,8-tetrahydrodioxolo[3,4-g]isoquinoline.

Molecular Properties

Compound Name6-methyl-3,5,7,8-tetrahydrodioxolo[3,4-g]isoquinoline
PubChem CID23618500
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name6-methyl-3,5,7,8-tetrahydrodioxolo[3,4-g]isoquinoline
SMILESCN1CCc2cc3c(cc2C1)COO3
InChIInChI=1S/C11H13NO2/c1-12-3-2-8-5-11-10(7-13-14-11)4-9(8)6-12/h4-5H,2-3,6-7H2,1H3
InChIKeyFUEVXDSAWVRASL-UHFFFAOYSA-N
XLogP1.50
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

8-methyl-2,3,4,7,9,10-hexahydro-[1,4]dioxepino[2,3-g]isoquinoline
CID 110457273
iodomethane;2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol
CID 23621205
6,7-diethyl-2-methyl-3,4-dihydro-1H-isoquinoline
CID 155395760
6-iodo-N,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 170318472
7-bromo-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 84703157
7-amino-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
CID 84656604
6-bromo-2-methyl-3,4-dihydro-1H-isoquinoline
CID 53408381
6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 59441854
6-ethyl-2-methyl-3,4-dihydro-1H-isoquinolin-7-amine
CID 134564878
methane;2-methyl-3,4-dihydro-1H-isoquinoline
CID 161283116
2,6-dimethyl-3,4-dihydro-1H-2,7-naphthyridine;ethane
CID 145006597
6-methyl-2-[(1S,2R,3S,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]-7,8-dihydro-5H-[1,3,2]dioxaborolo[4,5-g]isoquinoline
CID 53342214

Frequently Asked Questions

What is the IUPAC name of 6-methyl-3,5,7,8-tetrahydrodioxolo[3,4-g]isoquinoline?
The IUPAC name of 6-methyl-3,5,7,8-tetrahydrodioxolo[3,4-g]isoquinoline (CID 23618500) is 6-methyl-3,5,7,8-tetrahydrodioxolo[3,4-g]isoquinoline.
What is the SMILES notation for 6-methyl-3,5,7,8-tetrahydrodioxolo[3,4-g]isoquinoline?
The canonical SMILES for 6-methyl-3,5,7,8-tetrahydrodioxolo[3,4-g]isoquinoline is CN1CCc2cc3c(cc2C1)COO3.
What is the InChIKey of 6-methyl-3,5,7,8-tetrahydrodioxolo[3,4-g]isoquinoline?
The InChIKey is FUEVXDSAWVRASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO2/c1-12-3-2-8-5-11-10(7-13-14-11)4-9(8)6-12/h4-5H,2-3,6-7H2,1H3.
What are the key properties of 6-methyl-3,5,7,8-tetrahydrodioxolo[3,4-g]isoquinoline?
6-methyl-3,5,7,8-tetrahydrodioxolo[3,4-g]isoquinoline has a molecular weight of 191.23 g/mol, XLogP of 1.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3,5,7,8-tetrahydrodioxolo[3,4-g]isoquinoline is sourced from PubChem (CID 23618500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).