1-prop-2-ynyl-2,3-dihydroindole

C11H11N — CID 10888169

IUPAC1-prop-2-ynyl-2,3-dihydroindole
SMILESC#CCN1CCc2ccccc21
InChIInChI=1S/C11H11N/c1-2-8-12-9-7-10-5-3-4-6-11(10)12/h1,3-6H,7-9H2
InChIKeyKBTLWRHBSRAEFL-UHFFFAOYSA-N
MW157.22 g/mol
LogP1.68
Rot. Bonds1

About 1-prop-2-ynyl-2,3-dihydroindole

1-prop-2-ynyl-2,3-dihydroindole (PubChem CID 10888169) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is 1-prop-2-ynyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-prop-2-ynyl-2,3-dihydroindole
PubChem CID10888169
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name1-prop-2-ynyl-2,3-dihydroindole
SMILESC#CCN1CCc2ccccc21
InChIInChI=1S/C11H11N/c1-2-8-12-9-7-10-5-3-4-6-11(10)12/h1,3-6H,7-9H2
InChIKeyKBTLWRHBSRAEFL-UHFFFAOYSA-N
XLogP1.68
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynyl-2,3-dihydroindole?
The IUPAC name of 1-prop-2-ynyl-2,3-dihydroindole (CID 10888169) is 1-prop-2-ynyl-2,3-dihydroindole.
What is the SMILES notation for 1-prop-2-ynyl-2,3-dihydroindole?
The canonical SMILES for 1-prop-2-ynyl-2,3-dihydroindole is C#CCN1CCc2ccccc21.
What is the InChIKey of 1-prop-2-ynyl-2,3-dihydroindole?
The InChIKey is KBTLWRHBSRAEFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N/c1-2-8-12-9-7-10-5-3-4-6-11(10)12/h1,3-6H,7-9H2.
What are the key properties of 1-prop-2-ynyl-2,3-dihydroindole?
1-prop-2-ynyl-2,3-dihydroindole has a molecular weight of 157.22 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynyl-2,3-dihydroindole is sourced from PubChem (CID 10888169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).