1-(2-methyl-2,3-dihydroindol-1-yl)ethanol;3-prop-2-enoxyprop-1-ene

C17H25NO2 — CID 70567742

IUPAC1-(2-methyl-2,3-dihydroindol-1-yl)ethanol;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.CC(O)N1c2ccccc2CC1C
InChIInChI=1S/C11H15NO.C6H10O/c1-8-7-10-5-3-4-6-11(10)12(8)9(2)13;1-3-5-7-6-4-2/h3-6,8-9,13H,7H2,1-2H3;3-4H,1-2,5-6H2
InChIKeyGQOBXAVVVKJUGD-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.15
Rot. Bonds5

About 1-(2-methyl-2,3-dihydroindol-1-yl)ethanol;3-prop-2-enoxyprop-1-ene

1-(2-methyl-2,3-dihydroindol-1-yl)ethanol;3-prop-2-enoxyprop-1-ene (PubChem CID 70567742) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 1-(2-methyl-2,3-dihydroindol-1-yl)ethanol;3-prop-2-enoxyprop-1-ene.

Molecular Properties

Compound Name1-(2-methyl-2,3-dihydroindol-1-yl)ethanol;3-prop-2-enoxyprop-1-ene
PubChem CID70567742
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name1-(2-methyl-2,3-dihydroindol-1-yl)ethanol;3-prop-2-enoxyprop-1-ene
SMILESC=CCOCC=C.CC(O)N1c2ccccc2CC1C
InChIInChI=1S/C11H15NO.C6H10O/c1-8-7-10-5-3-4-6-11(10)12(8)9(2)13;1-3-5-7-6-4-2/h3-6,8-9,13H,7H2,1-2H3;3-4H,1-2,5-6H2
InChIKeyGQOBXAVVVKJUGD-UHFFFAOYSA-N
XLogP3.15
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)ethanol;3-prop-2-enoxyprop-1-ene?
The IUPAC name of 1-(2-methyl-2,3-dihydroindol-1-yl)ethanol;3-prop-2-enoxyprop-1-ene (CID 70567742) is 1-(2-methyl-2,3-dihydroindol-1-yl)ethanol;3-prop-2-enoxyprop-1-ene.
What is the SMILES notation for 1-(2-methyl-2,3-dihydroindol-1-yl)ethanol;3-prop-2-enoxyprop-1-ene?
The canonical SMILES for 1-(2-methyl-2,3-dihydroindol-1-yl)ethanol;3-prop-2-enoxyprop-1-ene is C=CCOCC=C.CC(O)N1c2ccccc2CC1C.
What is the InChIKey of 1-(2-methyl-2,3-dihydroindol-1-yl)ethanol;3-prop-2-enoxyprop-1-ene?
The InChIKey is GQOBXAVVVKJUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO.C6H10O/c1-8-7-10-5-3-4-6-11(10)12(8)9(2)13;1-3-5-7-6-4-2/h3-6,8-9,13H,7H2,1-2H3;3-4H,1-2,5-6H2.
What are the key properties of 1-(2-methyl-2,3-dihydroindol-1-yl)ethanol;3-prop-2-enoxyprop-1-ene?
1-(2-methyl-2,3-dihydroindol-1-yl)ethanol;3-prop-2-enoxyprop-1-ene has a molecular weight of 275.39 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2,3-dihydroindol-1-yl)ethanol;3-prop-2-enoxyprop-1-ene is sourced from PubChem (CID 70567742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).