7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indole

C13H17NO2 — CID 613012

IUPAC7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indole
SMILESCOc1ccc2c(c1)C1(C)CCOC1N2C
InChIInChI=1S/C13H17NO2/c1-13-6-7-16-12(13)14(2)11-5-4-9(15-3)8-10(11)13/h4-5,8,12H,6-7H2,1-3H3
InChIKeySXWSZOKKYCQYTR-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.15
Rot. Bonds1

About 7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indole

7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indole (PubChem CID 613012) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indole.

Molecular Properties

Compound Name7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indole
PubChem CID613012
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indole
SMILESCOc1ccc2c(c1)C1(C)CCOC1N2C
InChIInChI=1S/C13H17NO2/c1-13-6-7-16-12(13)14(2)11-5-4-9(15-3)8-10(11)13/h4-5,8,12H,6-7H2,1-3H3
InChIKeySXWSZOKKYCQYTR-UHFFFAOYSA-N
XLogP2.15
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dimethylphysostigmine
CID 16219608
Physovenine
CID 442113
Physovenine Carbamate 21a
CID 11482774
(3aS)-3a,8-dimethyl-2H,3H,3aH,8H,8aH-furo(2,3-b)indol-5-yl N-methylcarbamate
CID 23644658
Physovenine Carbamate 22a
CID 23645289
Physovenine Carbamate 23a
CID 44388351
n,n-Dimethyl 2-(5-methoxy-2,3-dihydro-1h-indol-3-yl)ethylamine
CID 11806221
[(8bS)-3,4,8b-trimethyl-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-7-yl] N,N-dimethylcarbamate
CID 13969569
[(3aR,8bS)-3,3a,4,8b-tetramethyl-1,2-dihydropyrrolo[2,3-b]indol-7-yl] N-methylcarbamate
CID 46228999
Physovenine Carbamate 20b
CID 23645288
(+)-(3aR)-3a,8-Dimethyl-2,3,3a,8a-tetrahydrofuro[2,3-b]indol-5-yl N-(2-Methylphenyl)carbamate
CID 23645290
(+)-(3aR)-3a,8-Dimethyl-2,3,3a,8a-tetrahydrofuro[2,3-b]indol-5-yl N-(4-Isopropylphenyl)carbamate
CID 23645295

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indole?
The IUPAC name of 7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indole (CID 613012) is 7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indole.
What is the SMILES notation for 7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indole?
The canonical SMILES for 7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indole is COc1ccc2c(c1)C1(C)CCOC1N2C.
What is the InChIKey of 7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indole?
The InChIKey is SXWSZOKKYCQYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13-6-7-16-12(13)14(2)11-5-4-9(15-3)8-10(11)13/h4-5,8,12H,6-7H2,1-3H3.
What are the key properties of 7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indole?
7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indole has a molecular weight of 219.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4,8b-dimethyl-2,3a-dihydro-1H-furo[2,3-b]indole is sourced from PubChem (CID 613012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).