1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol

C19H29NO — CID 63465891

IUPAC1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCC(C1CC2CCC1C2)n1ccc2c1CC(C)(C)CC2O
InChIInChI=1S/C19H29NO/c1-12(16-9-13-4-5-14(16)8-13)20-7-6-15-17(20)10-19(2,3)11-18(15)21/h6-7,12-14,16,18,21H,4-5,8-11H2,1-3H3
InChIKeyGVYLYCKNPLZSFB-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.49
Rot. Bonds2

About 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol

1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (PubChem CID 63465891) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol.

Molecular Properties

Compound Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
PubChem CID63465891
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Name1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol
SMILESCC(C1CC2CCC1C2)n1ccc2c1CC(C)(C)CC2O
InChIInChI=1S/C19H29NO/c1-12(16-9-13-4-5-14(16)8-13)20-7-6-15-17(20)10-19(2,3)11-18(15)21/h6-7,12-14,16,18,21H,4-5,8-11H2,1-3H3
InChIKeyGVYLYCKNPLZSFB-UHFFFAOYSA-N
XLogP4.49
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
The IUPAC name of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol (CID 63465891) is 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol.
What is the SMILES notation for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
The canonical SMILES for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol is CC(C1CC2CCC1C2)n1ccc2c1CC(C)(C)CC2O.
What is the InChIKey of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
The InChIKey is GVYLYCKNPLZSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO/c1-12(16-9-13-4-5-14(16)8-13)20-7-6-15-17(20)10-19(2,3)11-18(15)21/h6-7,12-14,16,18,21H,4-5,8-11H2,1-3H3.
What are the key properties of 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol?
1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol has a molecular weight of 287.45 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6,6-dimethyl-5,7-dihydro-4H-indol-4-ol is sourced from PubChem (CID 63465891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).