1-(4-hydroxy-2,3-dihydroindol-1-yl)prop-2-en-1-one

C11H11NO2 — CID 123314789

IUPAC1-(4-hydroxy-2,3-dihydroindol-1-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCc2c(O)cccc21
InChIInChI=1S/C11H11NO2/c1-2-11(14)12-7-6-8-9(12)4-3-5-10(8)13/h2-5,13H,1,6-7H2
InChIKeyNKJVIKQHJNSWJR-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.47
Rot. Bonds1

About 1-(4-hydroxy-2,3-dihydroindol-1-yl)prop-2-en-1-one

1-(4-hydroxy-2,3-dihydroindol-1-yl)prop-2-en-1-one (PubChem CID 123314789) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1-(4-hydroxy-2,3-dihydroindol-1-yl)prop-2-en-1-one.

Molecular Properties

Compound Name1-(4-hydroxy-2,3-dihydroindol-1-yl)prop-2-en-1-one
PubChem CID123314789
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name1-(4-hydroxy-2,3-dihydroindol-1-yl)prop-2-en-1-one
SMILESC=CC(=O)N1CCc2c(O)cccc21
InChIInChI=1S/C11H11NO2/c1-2-11(14)12-7-6-8-9(12)4-3-5-10(8)13/h2-5,13H,1,6-7H2
InChIKeyNKJVIKQHJNSWJR-UHFFFAOYSA-N
XLogP1.47
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-prop-2-enoyl-2,3-dihydroindole-4-carboxylate
CID 89003521
1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
CID 19598465
2,2,2-trifluoro-1-(4-hydroxy-2,3-dihydroindol-1-yl)ethanone
CID 87126610
1-[5-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 165439542
1-[5-(3,5-dimethylpiperidine-1-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 166421066
6-methyl-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 139015560
ethane;1-[4-[[3-ethynyl-5-(trifluoromethyl)phenyl]methoxy]-2,3-dihydroindol-1-yl]prop-2-en-1-one
CID 142559836
1-[5-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 166420189
1-(7-methoxy-2,3-dihydroindol-1-yl)prop-2-en-1-one
CID 138549870
1-[5-[2-(1-hydroxyethyl)piperidine-1-carbonyl]-3,4-dihydro-2H-quinolin-1-yl]prop-2-en-1-one
CID 166420181
N-(3-methyl-1,3-thiazol-2-ylidene)-1-prop-2-enoyl-3,4-dihydro-2H-quinoline-5-carboxamide
CID 166420952
1-prop-2-enoyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-3,4-dihydro-2H-quinoline-5-carboxamide
CID 166420947

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,3-dihydroindol-1-yl)prop-2-en-1-one?
The IUPAC name of 1-(4-hydroxy-2,3-dihydroindol-1-yl)prop-2-en-1-one (CID 123314789) is 1-(4-hydroxy-2,3-dihydroindol-1-yl)prop-2-en-1-one.
What is the SMILES notation for 1-(4-hydroxy-2,3-dihydroindol-1-yl)prop-2-en-1-one?
The canonical SMILES for 1-(4-hydroxy-2,3-dihydroindol-1-yl)prop-2-en-1-one is C=CC(=O)N1CCc2c(O)cccc21.
What is the InChIKey of 1-(4-hydroxy-2,3-dihydroindol-1-yl)prop-2-en-1-one?
The InChIKey is NKJVIKQHJNSWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-11(14)12-7-6-8-9(12)4-3-5-10(8)13/h2-5,13H,1,6-7H2.
What are the key properties of 1-(4-hydroxy-2,3-dihydroindol-1-yl)prop-2-en-1-one?
1-(4-hydroxy-2,3-dihydroindol-1-yl)prop-2-en-1-one has a molecular weight of 189.21 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,3-dihydroindol-1-yl)prop-2-en-1-one is sourced from PubChem (CID 123314789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).