1-(2-ethenoxyethyl)-7-methyl-4,5,6,7-tetrahydroindole

C13H19NO — CID 122210753

IUPAC1-(2-ethenoxyethyl)-7-methyl-4,5,6,7-tetrahydroindole
SMILESC=COCCn1ccc2c1C(C)CCC2
InChIInChI=1S/C13H19NO/c1-3-15-10-9-14-8-7-12-6-4-5-11(2)13(12)14/h3,7-8,11H,1,4-6,9-10H2,2H3
InChIKeyPPHVMUKJGWLKCB-UHFFFAOYSA-N
MW205.30 g/mol
LogP3.09
Rot. Bonds4

About 1-(2-ethenoxyethyl)-7-methyl-4,5,6,7-tetrahydroindole

1-(2-ethenoxyethyl)-7-methyl-4,5,6,7-tetrahydroindole (PubChem CID 122210753) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(2-ethenoxyethyl)-7-methyl-4,5,6,7-tetrahydroindole.

Molecular Properties

Compound Name1-(2-ethenoxyethyl)-7-methyl-4,5,6,7-tetrahydroindole
PubChem CID122210753
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(2-ethenoxyethyl)-7-methyl-4,5,6,7-tetrahydroindole
SMILESC=COCCn1ccc2c1C(C)CCC2
InChIInChI=1S/C13H19NO/c1-3-15-10-9-14-8-7-12-6-4-5-11(2)13(12)14/h3,7-8,11H,1,4-6,9-10H2,2H3
InChIKeyPPHVMUKJGWLKCB-UHFFFAOYSA-N
XLogP3.09
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 43207352
1-(2-ethenoxyethyl)-5-methylpyrimidine-2,4-dione
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1-(ethenoxymethyl)-3-methylcyclohexene
CID 102248116
2-(2-ethenoxyethyl)cyclopentan-1-one
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8-methyl-6,7,8,9,10,11-hexahydro-5H-benzo[9]annulene
CID 123348757
8-methyl-5,6,7,8-tetrahydro-1H-quinolin-2-one
CID 24962995
1-cyclohexyl-4-(2-ethenoxyethyl)benzene
CID 177370560
1-(2-ethenoxyethoxy)-4-[1-[4-(2-methoxyethoxy)phenyl]cyclohexyl]benzene
CID 20718251
4-[1-(2-ethenoxyethyl)-5-methylsulfanylpyrrol-2-yl]morpholine
CID 166447486
1-(2-cyclopentyloxyethyl)-4,5,6,7-tetrahydroindol-4-amine
CID 63826901

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxyethyl)-7-methyl-4,5,6,7-tetrahydroindole?
The IUPAC name of 1-(2-ethenoxyethyl)-7-methyl-4,5,6,7-tetrahydroindole (CID 122210753) is 1-(2-ethenoxyethyl)-7-methyl-4,5,6,7-tetrahydroindole.
What is the SMILES notation for 1-(2-ethenoxyethyl)-7-methyl-4,5,6,7-tetrahydroindole?
The canonical SMILES for 1-(2-ethenoxyethyl)-7-methyl-4,5,6,7-tetrahydroindole is C=COCCn1ccc2c1C(C)CCC2.
What is the InChIKey of 1-(2-ethenoxyethyl)-7-methyl-4,5,6,7-tetrahydroindole?
The InChIKey is PPHVMUKJGWLKCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-3-15-10-9-14-8-7-12-6-4-5-11(2)13(12)14/h3,7-8,11H,1,4-6,9-10H2,2H3.
What are the key properties of 1-(2-ethenoxyethyl)-7-methyl-4,5,6,7-tetrahydroindole?
1-(2-ethenoxyethyl)-7-methyl-4,5,6,7-tetrahydroindole has a molecular weight of 205.30 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenoxyethyl)-7-methyl-4,5,6,7-tetrahydroindole is sourced from PubChem (CID 122210753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).