5-methoxy-2-methyl-3-prop-2-enyl-1H-indole

C13H15NO — CID 156558108

IUPAC5-methoxy-2-methyl-3-prop-2-enyl-1H-indole
SMILESC=CCc1c(C)[nH]c2ccc(OC)cc12
InChIInChI=1S/C13H15NO/c1-4-5-11-9(2)14-13-7-6-10(15-3)8-12(11)13/h4,6-8,14H,1,5H2,2-3H3
InChIKeyBNVKDSQDKAWBMQ-UHFFFAOYSA-N
MW201.27 g/mol
LogP3.21
Rot. Bonds3

About 5-methoxy-2-methyl-3-prop-2-enyl-1H-indole

5-methoxy-2-methyl-3-prop-2-enyl-1H-indole (PubChem CID 156558108) has the molecular formula C13H15NO and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-methoxy-2-methyl-3-prop-2-enyl-1H-indole.

Molecular Properties

Compound Name5-methoxy-2-methyl-3-prop-2-enyl-1H-indole
PubChem CID156558108
Molecular FormulaC13H15NO
Molecular Weight201.27 g/mol
Exact Mass201.12
IUPAC Name5-methoxy-2-methyl-3-prop-2-enyl-1H-indole
SMILESC=CCc1c(C)[nH]c2ccc(OC)cc12
InChIInChI=1S/C13H15NO/c1-4-5-11-9(2)14-13-7-6-10(15-3)8-12(11)13/h4,6-8,14H,1,5H2,2-3H3
InChIKeyBNVKDSQDKAWBMQ-UHFFFAOYSA-N
XLogP3.21
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]-2-methylpropan-2-amine
CID 65335669
N-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]propan-2-amine
CID 65335671
6-methoxy-2-methyl-3-propyl-1H-quinoline-4-thione
CID 790258
2-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]-1-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethylideneamino]guanidine
CID 69150487
N-[(2-methyl-5-prop-2-enoxy-1H-indol-3-yl)methyl]acetamide
CID 20647479
3-butyl-6-methoxy-2-methyl-1H-quinoline-4-thione
CID 2056968
2-amino-3-(5-methoxy-2-methyl-1H-indol-3-yl)propanoic acid;ethane
CID 145142423
N-[3-(5-methoxy-2-methyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 98032942
2-[(5-methoxy-2-methyl-1H-indol-3-yl)methyl]cyclopentan-1-ol
CID 84637812
N-cyclohexyl-2-(5-methoxy-2-methyl-1H-indol-3-yl)acetamide
CID 113212089
4-[2-(5-methoxy-2-methyl-1H-indol-3-yl)ethyl]morpholine
CID 19438809
3-[[ethyl-[(6-methoxy-2-methyl-4-oxo-1H-quinolin-3-yl)methyl]amino]methyl]-6-methoxy-2-methyl-1H-quinolin-4-one
CID 608539

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-methyl-3-prop-2-enyl-1H-indole?
The IUPAC name of 5-methoxy-2-methyl-3-prop-2-enyl-1H-indole (CID 156558108) is 5-methoxy-2-methyl-3-prop-2-enyl-1H-indole.
What is the SMILES notation for 5-methoxy-2-methyl-3-prop-2-enyl-1H-indole?
The canonical SMILES for 5-methoxy-2-methyl-3-prop-2-enyl-1H-indole is C=CCc1c(C)[nH]c2ccc(OC)cc12.
What is the InChIKey of 5-methoxy-2-methyl-3-prop-2-enyl-1H-indole?
The InChIKey is BNVKDSQDKAWBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO/c1-4-5-11-9(2)14-13-7-6-10(15-3)8-12(11)13/h4,6-8,14H,1,5H2,2-3H3.
What are the key properties of 5-methoxy-2-methyl-3-prop-2-enyl-1H-indole?
5-methoxy-2-methyl-3-prop-2-enyl-1H-indole has a molecular weight of 201.27 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-methyl-3-prop-2-enyl-1H-indole is sourced from PubChem (CID 156558108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).