4-methoxy-1-methyl-3-prop-1-en-2-yl-2,3-dihydroindole

C13H17NO — CID 162418568

IUPAC4-methoxy-1-methyl-3-prop-1-en-2-yl-2,3-dihydroindole
SMILESC=C(C)C1CN(C)c2cccc(OC)c21
InChIInChI=1S/C13H17NO/c1-9(2)10-8-14(3)11-6-5-7-12(15-4)13(10)11/h5-7,10H,1,8H2,2-4H3
InChIKeyBSCHBJVWVBORTP-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.80
Rot. Bonds2

About 4-methoxy-1-methyl-3-prop-1-en-2-yl-2,3-dihydroindole

4-methoxy-1-methyl-3-prop-1-en-2-yl-2,3-dihydroindole (PubChem CID 162418568) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-methoxy-1-methyl-3-prop-1-en-2-yl-2,3-dihydroindole.

Molecular Properties

Compound Name4-methoxy-1-methyl-3-prop-1-en-2-yl-2,3-dihydroindole
PubChem CID162418568
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name4-methoxy-1-methyl-3-prop-1-en-2-yl-2,3-dihydroindole
SMILESC=C(C)C1CN(C)c2cccc(OC)c21
InChIInChI=1S/C13H17NO/c1-9(2)10-8-14(3)11-6-5-7-12(15-4)13(10)11/h5-7,10H,1,8H2,2-4H3
InChIKeyBSCHBJVWVBORTP-UHFFFAOYSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-1-methyl-2,3-dihydroindol-3-yl)ethanol
CID 117200379
4-hydroxy-1-methyl-2,3-dihydroindole-3-carboxylic acid
CID 117200421
1-(4-chloro-1-methyl-2,3-dihydroindol-3-yl)ethanone
CID 117199908
8-methoxy-4-methyl-2-propan-2-yl-2,3-dihydro-1H-quinoxaline
CID 84623745
5-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-4-ol
CID 122504635
2-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)acetic acid
CID 117200532
1-(1-ethyl-4-methoxy-2,3-dihydroindol-3-yl)-2-methylpropan-2-ol
CID 117200472
1,8-dimethoxy-10-methyl-9-phenyl-9H-acridine;hydrobromide
CID 172854854
3-methoxy-2-(3-methylcyclobutyl)phenol
CID 163644409
1-deuterio-3,19-dimethoxy-8,14-dipropyl-8,14-diazapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2(7),3,5,9(21),10,12,15(20),16,18-nonaene
CID 53242430
10,16-dimethoxypentacyclo[6.6.6.02,7.09,14.015,20]icosa-2,4,6,9(14),10,12,15(20),16,18-nonaene-3,6-diol
CID 132777321
1-(1-chloroethyl)-9-methoxy-3-methyl-1,2-dihydrobenzo[e]indol-5-ol
CID 129076557

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-methyl-3-prop-1-en-2-yl-2,3-dihydroindole?
The IUPAC name of 4-methoxy-1-methyl-3-prop-1-en-2-yl-2,3-dihydroindole (CID 162418568) is 4-methoxy-1-methyl-3-prop-1-en-2-yl-2,3-dihydroindole.
What is the SMILES notation for 4-methoxy-1-methyl-3-prop-1-en-2-yl-2,3-dihydroindole?
The canonical SMILES for 4-methoxy-1-methyl-3-prop-1-en-2-yl-2,3-dihydroindole is C=C(C)C1CN(C)c2cccc(OC)c21.
What is the InChIKey of 4-methoxy-1-methyl-3-prop-1-en-2-yl-2,3-dihydroindole?
The InChIKey is BSCHBJVWVBORTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-9(2)10-8-14(3)11-6-5-7-12(15-4)13(10)11/h5-7,10H,1,8H2,2-4H3.
What are the key properties of 4-methoxy-1-methyl-3-prop-1-en-2-yl-2,3-dihydroindole?
4-methoxy-1-methyl-3-prop-1-en-2-yl-2,3-dihydroindole has a molecular weight of 203.28 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-methyl-3-prop-1-en-2-yl-2,3-dihydroindole is sourced from PubChem (CID 162418568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).