2-prop-2-enoxy-1,2-dihydroindol-3-one

C11H11NO2 — CID 134960358

IUPAC2-prop-2-enoxy-1,2-dihydroindol-3-one
SMILESC=CCOC1Nc2ccccc2C1=O
InChIInChI=1S/C11H11NO2/c1-2-7-14-11-10(13)8-5-3-4-6-9(8)12-11/h2-6,11-12H,1,7H2
InChIKeyIXHWFMFLCUTYOD-UHFFFAOYSA-N
MW189.21 g/mol
LogP1.82
Rot. Bonds3

About 2-prop-2-enoxy-1,2-dihydroindol-3-one

2-prop-2-enoxy-1,2-dihydroindol-3-one (PubChem CID 134960358) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is 2-prop-2-enoxy-1,2-dihydroindol-3-one.

Molecular Properties

Compound Name2-prop-2-enoxy-1,2-dihydroindol-3-one
PubChem CID134960358
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name2-prop-2-enoxy-1,2-dihydroindol-3-one
SMILESC=CCOC1Nc2ccccc2C1=O
InChIInChI=1S/C11H11NO2/c1-2-7-14-11-10(13)8-5-3-4-6-9(8)12-11/h2-6,11-12H,1,7H2
InChIKeyIXHWFMFLCUTYOD-UHFFFAOYSA-N
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-oxo-3-prop-2-enyl-2,3-dihydro-1H-quinolin-2-yl)acetamide
CID 89210253
2-amino-1,2-dihydroindol-3-one;hydrochloride
CID 146048624
4-oxo-2,3-dihydro-1H-quinazoline-2-sulfonamide
CID 67605247
2-(3-chloro-4-prop-2-enoxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 75419407
2-(2,3-dihydroxyphenyl)-2,3-dihydro-1H-quinazolin-4-one
CID 155486790
6-methyl-2-prop-2-enoxy-1,2-dihydroquinoline-3-carbaldehyde
CID 16649205
3-oxo-1,2-dihydroindole-2-carbonitrile
CID 133058296
(2S,3S)-2,3-bis(prop-2-enyl)-1,2,3,4-tetrahydroquinoxaline
CID 743025
2-(2-hydroxyethyliminomethyl)-1,2-dihydroindol-3-one
CID 51576390
3-ethyl-2-(3-prop-2-enoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779893
2,3,4,4a,9a,10-hexahydro-1H-acridin-9-one
CID 659071
4-prop-2-enyl-3,4-dihydro-1H-quinazolin-2-one
CID 54023611

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enoxy-1,2-dihydroindol-3-one?
The IUPAC name of 2-prop-2-enoxy-1,2-dihydroindol-3-one (CID 134960358) is 2-prop-2-enoxy-1,2-dihydroindol-3-one.
What is the SMILES notation for 2-prop-2-enoxy-1,2-dihydroindol-3-one?
The canonical SMILES for 2-prop-2-enoxy-1,2-dihydroindol-3-one is C=CCOC1Nc2ccccc2C1=O.
What is the InChIKey of 2-prop-2-enoxy-1,2-dihydroindol-3-one?
The InChIKey is IXHWFMFLCUTYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO2/c1-2-7-14-11-10(13)8-5-3-4-6-9(8)12-11/h2-6,11-12H,1,7H2.
What are the key properties of 2-prop-2-enoxy-1,2-dihydroindol-3-one?
2-prop-2-enoxy-1,2-dihydroindol-3-one has a molecular weight of 189.21 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enoxy-1,2-dihydroindol-3-one is sourced from PubChem (CID 134960358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).