(1-prop-2-ynylindol-7-yl)methanol

C12H11NO — CID 102912084

IUPAC(1-prop-2-ynylindol-7-yl)methanol
SMILESC#CCn1ccc2cccc(CO)c21
InChIInChI=1S/C12H11NO/c1-2-7-13-8-6-10-4-3-5-11(9-14)12(10)13/h1,3-6,8,14H,7,9H2
InChIKeyFGBGJHQGSREJEG-UHFFFAOYSA-N
MW185.23 g/mol
LogP1.77
Rot. Bonds2

About (1-prop-2-ynylindol-7-yl)methanol

(1-prop-2-ynylindol-7-yl)methanol (PubChem CID 102912084) has the molecular formula C12H11NO and a molecular weight of 185.23 g/mol. Its IUPAC name is (1-prop-2-ynylindol-7-yl)methanol.

Molecular Properties

Compound Name(1-prop-2-ynylindol-7-yl)methanol
PubChem CID102912084
Molecular FormulaC12H11NO
Molecular Weight185.23 g/mol
Exact Mass185.08
IUPAC Name(1-prop-2-ynylindol-7-yl)methanol
SMILESC#CCn1ccc2cccc(CO)c21
InChIInChI=1S/C12H11NO/c1-2-7-13-8-6-10-4-3-5-11(9-14)12(10)13/h1,3-6,8,14H,7,9H2
InChIKeyFGBGJHQGSREJEG-UHFFFAOYSA-N
XLogP1.77
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1-prop-2-ynylindol-7-yl)methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-prop-2-ynylindol-7-yl)methanol?
The IUPAC name of (1-prop-2-ynylindol-7-yl)methanol (CID 102912084) is (1-prop-2-ynylindol-7-yl)methanol.
What is the SMILES notation for (1-prop-2-ynylindol-7-yl)methanol?
The canonical SMILES for (1-prop-2-ynylindol-7-yl)methanol is C#CCn1ccc2cccc(CO)c21.
What is the InChIKey of (1-prop-2-ynylindol-7-yl)methanol?
The InChIKey is FGBGJHQGSREJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO/c1-2-7-13-8-6-10-4-3-5-11(9-14)12(10)13/h1,3-6,8,14H,7,9H2.
What are the key properties of (1-prop-2-ynylindol-7-yl)methanol?
(1-prop-2-ynylindol-7-yl)methanol has a molecular weight of 185.23 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-2-ynylindol-7-yl)methanol is sourced from PubChem (CID 102912084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).