2-(2,3-dihydro-1H-indol-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

C18H25NO — CID 115401309

IUPAC2-(2,3-dihydro-1H-indol-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(C)C2(O)C1Cc2ccccc2N1
InChIInChI=1S/C18H25NO/c1-16(2)13-8-9-17(3,11-13)18(16,20)15-10-12-6-4-5-7-14(12)19-15/h4-7,13,15,19-20H,8-11H2,1-3H3
InChIKeyOXGWWSFHIJWKRR-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.60
Rot. Bonds1

About 2-(2,3-dihydro-1H-indol-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol

2-(2,3-dihydro-1H-indol-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol (PubChem CID 115401309) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-indol-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-indol-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
PubChem CID115401309
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name2-(2,3-dihydro-1H-indol-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
SMILESCC12CCC(C1)C(C)(C)C2(O)C1Cc2ccccc2N1
InChIInChI=1S/C18H25NO/c1-16(2)13-8-9-17(3,11-13)18(16,20)15-10-12-6-4-5-7-14(12)19-15/h4-7,13,15,19-20H,8-11H2,1-3H3
InChIKeyOXGWWSFHIJWKRR-UHFFFAOYSA-N
XLogP3.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(2,3-dihydro-1H-indol-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-indol-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The IUPAC name of 2-(2,3-dihydro-1H-indol-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol (CID 115401309) is 2-(2,3-dihydro-1H-indol-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol.
What is the SMILES notation for 2-(2,3-dihydro-1H-indol-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The canonical SMILES for 2-(2,3-dihydro-1H-indol-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol is CC12CCC(C1)C(C)(C)C2(O)C1Cc2ccccc2N1.
What is the InChIKey of 2-(2,3-dihydro-1H-indol-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
The InChIKey is OXGWWSFHIJWKRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-16(2)13-8-9-17(3,11-13)18(16,20)15-10-12-6-4-5-7-14(12)19-15/h4-7,13,15,19-20H,8-11H2,1-3H3.
What are the key properties of 2-(2,3-dihydro-1H-indol-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol?
2-(2,3-dihydro-1H-indol-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol has a molecular weight of 271.40 g/mol, XLogP of 3.60, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-indol-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol is sourced from PubChem (CID 115401309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).