3-(2,3-dihydro-1H-indol-5-yl)prop-2-yn-1-ol

C11H11NO — CID 169485135

IUPAC3-(2,3-dihydro-1H-indol-5-yl)prop-2-yn-1-ol
SMILESOCC#Cc1ccc2c(c1)CCN2
InChIInChI=1S/C11H11NO/c13-7-1-2-9-3-4-11-10(8-9)5-6-12-11/h3-4,8,12-13H,5-7H2
InChIKeyJZFZLMGOWTYXTE-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.00
Rot. Bonds

About 3-(2,3-dihydro-1H-indol-5-yl)prop-2-yn-1-ol

3-(2,3-dihydro-1H-indol-5-yl)prop-2-yn-1-ol (PubChem CID 169485135) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-indol-5-yl)prop-2-yn-1-ol.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-indol-5-yl)prop-2-yn-1-ol
PubChem CID169485135
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name3-(2,3-dihydro-1H-indol-5-yl)prop-2-yn-1-ol
SMILESOCC#Cc1ccc2c(c1)CCN2
InChIInChI=1S/C11H11NO/c13-7-1-2-9-3-4-11-10(8-9)5-6-12-11/h3-4,8,12-13H,5-7H2
InChIKeyJZFZLMGOWTYXTE-UHFFFAOYSA-N
XLogP1.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 3-(2,3-dihydro-1H-indol-5-yl)prop-2-yn-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

methyl 4-(2,3-dihydro-1H-indol-5-yl)but-3-ynoate
CID 170469619
3-(1-methyl-1,2,3,4-tetrahydroisoquinolin-6-yl)prop-2-yn-1-ol
CID 164531538
4-(3-hydroxyprop-1-ynyl)benzene-1,2-diol
CID 169484709
4-(2,3-dihydro-1H-indol-5-ylmethoxy)phenol
CID 115103984
3-(1H-indol-6-yl)prop-2-yn-1-ol
CID 169485137
3-amino-3-(2,3-dihydro-1H-indol-5-yl)propan-1-ol
CID 55297643
3-(2,3-dihydro-1H-indol-5-yl)prop-2-en-1-amine
CID 169463690
1-(2,3-dihydro-1H-indol-5-yl)hex-4-yn-1-one
CID 116554292
1-(2,3-dihydro-1H-indol-5-yl)ethanone
CID 170999934
3-(1,3-benzodioxol-5-yl)prop-2-yn-1-ol
CID 11137646
5-prop-1-en-2-yl-2,3-dihydro-1H-indole
CID 130132973
2-[4-[2-(2,3-dihydro-1H-indol-5-yl)ethyl]piperazin-1-yl]ethanol
CID 82255773

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)prop-2-yn-1-ol?
The IUPAC name of 3-(2,3-dihydro-1H-indol-5-yl)prop-2-yn-1-ol (CID 169485135) is 3-(2,3-dihydro-1H-indol-5-yl)prop-2-yn-1-ol.
What is the SMILES notation for 3-(2,3-dihydro-1H-indol-5-yl)prop-2-yn-1-ol?
The canonical SMILES for 3-(2,3-dihydro-1H-indol-5-yl)prop-2-yn-1-ol is OCC#Cc1ccc2c(c1)CCN2.
What is the InChIKey of 3-(2,3-dihydro-1H-indol-5-yl)prop-2-yn-1-ol?
The InChIKey is JZFZLMGOWTYXTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c13-7-1-2-9-3-4-11-10(8-9)5-6-12-11/h3-4,8,12-13H,5-7H2.
What are the key properties of 3-(2,3-dihydro-1H-indol-5-yl)prop-2-yn-1-ol?
3-(2,3-dihydro-1H-indol-5-yl)prop-2-yn-1-ol has a molecular weight of 173.21 g/mol, XLogP of 1.00, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-indol-5-yl)prop-2-yn-1-ol is sourced from PubChem (CID 169485135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).