1-(2-bicyclo[2.2.1]heptanylmethyl)-4-propoxyindole

C19H25NO — CID 83165975

IUPAC1-(2-bicyclo[2.2.1]heptanylmethyl)-4-propoxyindole
SMILESCCCOc1cccc2c1ccn2CC1CC2CCC1C2
InChIInChI=1S/C19H25NO/c1-2-10-21-19-5-3-4-18-17(19)8-9-20(18)13-16-12-14-6-7-15(16)11-14/h3-5,8-9,14-16H,2,6-7,10-13H2,1H3
InChIKeyGQEMNVASVHHQGH-UHFFFAOYSA-N
MW283.42 g/mol
LogP4.87
Rot. Bonds5

About 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-propoxyindole

1-(2-bicyclo[2.2.1]heptanylmethyl)-4-propoxyindole (PubChem CID 83165975) has the molecular formula C19H25NO and a molecular weight of 283.42 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-propoxyindole.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanylmethyl)-4-propoxyindole
PubChem CID83165975
Molecular FormulaC19H25NO
Molecular Weight283.42 g/mol
Exact Mass283.19
IUPAC Name1-(2-bicyclo[2.2.1]heptanylmethyl)-4-propoxyindole
SMILESCCCOc1cccc2c1ccn2CC1CC2CCC1C2
InChIInChI=1S/C19H25NO/c1-2-10-21-19-5-3-4-18-17(19)8-9-20(18)13-16-12-14-6-7-15(16)11-14/h3-5,8-9,14-16H,2,6-7,10-13H2,1H3
InChIKeyGQEMNVASVHHQGH-UHFFFAOYSA-N
XLogP4.87
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-propoxyindole?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-propoxyindole (CID 83165975) is 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-propoxyindole.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-propoxyindole?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-propoxyindole is CCCOc1cccc2c1ccn2CC1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-propoxyindole?
The InChIKey is GQEMNVASVHHQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25NO/c1-2-10-21-19-5-3-4-18-17(19)8-9-20(18)13-16-12-14-6-7-15(16)11-14/h3-5,8-9,14-16H,2,6-7,10-13H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-propoxyindole?
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-propoxyindole has a molecular weight of 283.42 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanylmethyl)-4-propoxyindole is sourced from PubChem (CID 83165975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).