1-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylcycloheptan-1-ol

C17H25NO — CID 65086096

IUPAC1-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylcycloheptan-1-ol
SMILESCC1(C)CCCC(O)(C2Cc3ccccc3N2)CC1
InChIInChI=1S/C17H25NO/c1-16(2)8-5-9-17(19,11-10-16)15-12-13-6-3-4-7-14(13)18-15/h3-4,6-7,15,18-19H,5,8-12H2,1-2H3
InChIKeyRVANDELZRNKPHW-UHFFFAOYSA-N
MW259.39 g/mol
LogP3.74
Rot. Bonds1

About 1-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylcycloheptan-1-ol

1-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylcycloheptan-1-ol (PubChem CID 65086096) has the molecular formula C17H25NO and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylcycloheptan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylcycloheptan-1-ol
PubChem CID65086096
Molecular FormulaC17H25NO
Molecular Weight259.39 g/mol
Exact Mass259.19
IUPAC Name1-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylcycloheptan-1-ol
SMILESCC1(C)CCCC(O)(C2Cc3ccccc3N2)CC1
InChIInChI=1S/C17H25NO/c1-16(2)8-5-9-17(19,11-10-16)15-12-13-6-3-4-7-14(13)18-15/h3-4,6-7,15,18-19H,5,8-12H2,1-2H3
InChIKeyRVANDELZRNKPHW-UHFFFAOYSA-N
XLogP3.74
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylcycloheptan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylcycloheptan-1-ol (CID 65086096) is 1-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylcycloheptan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylcycloheptan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylcycloheptan-1-ol is CC1(C)CCCC(O)(C2Cc3ccccc3N2)CC1.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylcycloheptan-1-ol?
The InChIKey is RVANDELZRNKPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO/c1-16(2)8-5-9-17(19,11-10-16)15-12-13-6-3-4-7-14(13)18-15/h3-4,6-7,15,18-19H,5,8-12H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylcycloheptan-1-ol?
1-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylcycloheptan-1-ol has a molecular weight of 259.39 g/mol, XLogP of 3.74, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylcycloheptan-1-ol is sourced from PubChem (CID 65086096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).