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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(2,3-dihydro-1H-indol-2-yl)-1-methylazepan-4-ol
CID 65075178
4-(2,3-dihydro-1H-indol-2-yl)-1-ethylazepan-4-ol
CID 65077653
3-amino-1-(2,3-dihydro-1H-indol-2-yl)cyclohexan-1-ol
CID 80561154
1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol
CID 65042027
3-(2,3-dihydro-1H-indol-2-yl)pyrrolidin-3-ol
CID 65042492
3-(2,3-dihydro-1H-indol-2-yl)thiolan-3-ol
CID 79949446
4-ethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cycloheptan-1-ol
CID 65086041
1-(2,3-dihydro-1H-indol-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82855393
3-(2,3-dihydro-1H-indol-2-yl)-4,4-dimethylthian-3-ol
CID 79955993
2-(2,3-dihydro-1H-indol-2-yl)-1,3,3-trimethylbicyclo[2.2.1]heptan-2-ol
CID 115401309
2,3-dimethyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol
CID 65041592
3-cyclopropyl-1-(1,2,3,4-tetrahydroquinolin-2-yl)cyclohexan-1-ol
CID 65042244

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).