2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-7-ol

C13H15NO2 — CID 18963990

IUPAC2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-7-ol
SMILESCn1c2c(c3cc(O)ccc31)CC(CO)C2
InChIInChI=1S/C13H15NO2/c1-14-12-3-2-9(16)6-11(12)10-4-8(7-15)5-13(10)14/h2-3,6,8,15-16H,4-5,7H2,1H3
InChIKeyADGDJAGBDVENRA-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.59
Rot. Bonds1

About 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-7-ol

2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-7-ol (PubChem CID 18963990) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-7-ol.

Molecular Properties

Compound Name2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-7-ol
PubChem CID18963990
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-7-ol
SMILESCn1c2c(c3cc(O)ccc31)CC(CO)C2
InChIInChI=1S/C13H15NO2/c1-14-12-3-2-9(16)6-11(12)10-4-8(7-15)5-13(10)14/h2-3,6,8,15-16H,4-5,7H2,1H3
InChIKeyADGDJAGBDVENRA-UHFFFAOYSA-N
XLogP1.59
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Analyze 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-7-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

(9-methyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanol
CID 140999060
9-methyl-1,2,3,4-tetrahydropyrido[3,4-b]indol-6-ol
CID 83881219
N,N-dimethyl-1-(4-methyl-7-phenylmethoxy-2,3-dihydro-1H-cyclopenta[b]indol-2-yl)methanamine;hydrochloride
CID 18964021
1,2,9-trimethyl-3,4-dihydro-1H-pyrido[3,4-b]indol-6-ol
CID 11770275
(2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylic acid
CID 99996433
9-methyl-3,4-dihydropyrido[3,4-b]indol-6-ol
CID 67062810
7-bromo-N,4-dimethyl-2,3-dihydro-1H-cyclopenta[b]indol-2-amine
CID 84743385
6-ethoxy-9-methyl-1,2,3,4-tetrahydrocarbazol-2-amine
CID 83488140
(1,9-dimethyl-1,2,3,4-tetrahydrocarbazol-3-yl)methanol
CID 142650325
methyl (2R)-7-amino-4-methyl-2,3-dihydro-1H-cyclopenta[b]indole-2-carboxylate
CID 99996425
6-hydroxy-1,2-dimethylquinolin-4-one
CID 130032779
ethane;3-fluoro-1,2-dimethylindol-5-ol
CID 145147289

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-7-ol?
The IUPAC name of 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-7-ol (CID 18963990) is 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-7-ol.
What is the SMILES notation for 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-7-ol?
The canonical SMILES for 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-7-ol is Cn1c2c(c3cc(O)ccc31)CC(CO)C2.
What is the InChIKey of 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-7-ol?
The InChIKey is ADGDJAGBDVENRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-14-12-3-2-9(16)6-11(12)10-4-8(7-15)5-13(10)14/h2-3,6,8,15-16H,4-5,7H2,1H3.
What are the key properties of 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-7-ol?
2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-7-ol has a molecular weight of 217.27 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-4-methyl-2,3-dihydro-1H-cyclopenta[b]indol-7-ol is sourced from PubChem (CID 18963990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).