1-(2,3-dihydroindol-1-yl)prop-2-en-1-one

C11H11NO — CID 23317889

IUPAC1-(2,3-dihydroindol-1-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCc2ccccc21
InChIInChI=1S/C11H11NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h2-6H,1,7-8H2
InChIKeyMBODXUXQQPORNR-UHFFFAOYSA-N
MW173.21 g/mol
LogP1.76
Rot. Bonds1

About 1-(2,3-dihydroindol-1-yl)prop-2-en-1-one

1-(2,3-dihydroindol-1-yl)prop-2-en-1-one (PubChem CID 23317889) has the molecular formula C11H11NO and a molecular weight of 173.21 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)prop-2-en-1-one
PubChem CID23317889
Molecular FormulaC11H11NO
Molecular Weight173.21 g/mol
Exact Mass173.08
IUPAC Name1-(2,3-dihydroindol-1-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCc2ccccc21
InChIInChI=1S/C11H11NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h2-6H,1,7-8H2
InChIKeyMBODXUXQQPORNR-UHFFFAOYSA-N
XLogP1.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)prop-2-en-1-one?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)prop-2-en-1-one (CID 23317889) is 1-(2,3-dihydroindol-1-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)prop-2-en-1-one?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)prop-2-en-1-one is C=CC(=O)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)prop-2-en-1-one?
The InChIKey is MBODXUXQQPORNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO/c1-2-11(13)12-8-7-9-5-3-4-6-10(9)12/h2-6H,1,7-8H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)prop-2-en-1-one?
1-(2,3-dihydroindol-1-yl)prop-2-en-1-one has a molecular weight of 173.21 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)prop-2-en-1-one is sourced from PubChem (CID 23317889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).