5,6-dimethoxy-1-prop-2-enyl-2,3-dihydroindole

C13H17NO2 — CID 67861334

IUPAC5,6-dimethoxy-1-prop-2-enyl-2,3-dihydroindole
SMILESC=CCN1CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C13H17NO2/c1-4-6-14-7-5-10-8-12(15-2)13(16-3)9-11(10)14/h4,8-9H,1,5-7H2,2-3H3
InChIKeyQXVKIOPNYYQBQJ-UHFFFAOYSA-N
MW219.28 g/mol
LogP2.25
Rot. Bonds4

About 5,6-dimethoxy-1-prop-2-enyl-2,3-dihydroindole

5,6-dimethoxy-1-prop-2-enyl-2,3-dihydroindole (PubChem CID 67861334) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5,6-dimethoxy-1-prop-2-enyl-2,3-dihydroindole.

Molecular Properties

Compound Name5,6-dimethoxy-1-prop-2-enyl-2,3-dihydroindole
PubChem CID67861334
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name5,6-dimethoxy-1-prop-2-enyl-2,3-dihydroindole
SMILESC=CCN1CCc2cc(OC)c(OC)cc21
InChIInChI=1S/C13H17NO2/c1-4-6-14-7-5-10-8-12(15-2)13(16-3)9-11(10)14/h4,8-9H,1,5-7H2,2-3H3
InChIKeyQXVKIOPNYYQBQJ-UHFFFAOYSA-N
XLogP2.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(6-amino-5-methoxy-2,3-dihydroindol-1-yl)acetaldehyde
CID 87513526
1-prop-2-enyl-2,3-dihydroindol-5-ol
CID 175212901
1-(2-isocyanoethyl)-6,7-dimethoxy-3,4-dihydro-2H-quinoline
CID 2759427
7,8-dimethoxy-3-methyl-1,2,4,5-tetrahydro-3-benzazepine;hydrochloride
CID 23462892
methyl 2-[(1S)-6,7-dimethoxy-2-prop-2-enyl-3,4-dihydro-1H-isoquinolin-1-yl]acetate
CID 94897706
N-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]prop-2-en-1-amine
CID 62573756
N-[1-(1-prop-2-enyl-2,3-dihydroindol-5-yl)ethyl]propan-1-amine
CID 102662677
7-methoxy-3-prop-2-enyl-1,2,4,5-tetrahydro-3-benzazepine
CID 23331357
6,7-dimethoxy-N-prop-2-enyl-3,4-dihydro-1H-isoquinoline-2-carbothioamide
CID 2969305
5-bromo-6-methoxy-1-(3-methylpentyl)-2,3-dihydroindole
CID 143796008
(1R)-2-[(S)-tert-butylsulfinyl]-6,7-dimethoxy-1-prop-2-enyl-3,4-dihydro-1H-isoquinoline
CID 169301963
2-[(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinoline
CID 14660144

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-1-prop-2-enyl-2,3-dihydroindole?
The IUPAC name of 5,6-dimethoxy-1-prop-2-enyl-2,3-dihydroindole (CID 67861334) is 5,6-dimethoxy-1-prop-2-enyl-2,3-dihydroindole.
What is the SMILES notation for 5,6-dimethoxy-1-prop-2-enyl-2,3-dihydroindole?
The canonical SMILES for 5,6-dimethoxy-1-prop-2-enyl-2,3-dihydroindole is C=CCN1CCc2cc(OC)c(OC)cc21.
What is the InChIKey of 5,6-dimethoxy-1-prop-2-enyl-2,3-dihydroindole?
The InChIKey is QXVKIOPNYYQBQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-4-6-14-7-5-10-8-12(15-2)13(16-3)9-11(10)14/h4,8-9H,1,5-7H2,2-3H3.
What are the key properties of 5,6-dimethoxy-1-prop-2-enyl-2,3-dihydroindole?
5,6-dimethoxy-1-prop-2-enyl-2,3-dihydroindole has a molecular weight of 219.28 g/mol, XLogP of 2.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-1-prop-2-enyl-2,3-dihydroindole is sourced from PubChem (CID 67861334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).