3-[methoxy(phenyl)methylidene]-3a,4-dihydro-1H-indol-2-one

C16H15NO2 — CID 141326664

IUPAC3-[methoxy(phenyl)methylidene]-3a,4-dihydro-1H-indol-2-one
SMILESCOC(=C1C(=O)NC2=CC=CCC21)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-15(11-7-3-2-4-8-11)14-12-9-5-6-10-13(12)17-16(14)18/h2-8,10,12H,9H2,1H3,(H,17,18)
InChIKeyAOMVNKFCSPUPCC-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.63
Rot. Bonds2

About 3-[methoxy(phenyl)methylidene]-3a,4-dihydro-1H-indol-2-one

3-[methoxy(phenyl)methylidene]-3a,4-dihydro-1H-indol-2-one (PubChem CID 141326664) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 3-[methoxy(phenyl)methylidene]-3a,4-dihydro-1H-indol-2-one.

Molecular Properties

Compound Name3-[methoxy(phenyl)methylidene]-3a,4-dihydro-1H-indol-2-one
PubChem CID141326664
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name3-[methoxy(phenyl)methylidene]-3a,4-dihydro-1H-indol-2-one
SMILESCOC(=C1C(=O)NC2=CC=CCC21)c1ccccc1
InChIInChI=1S/C16H15NO2/c1-19-15(11-7-3-2-4-8-11)14-12-9-5-6-10-13(12)17-16(14)18/h2-8,10,12H,9H2,1H3,(H,17,18)
InChIKeyAOMVNKFCSPUPCC-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-[(2,4-difluorophenyl)methoxy]-3,6-dimethyl-1H-pyridin-2-one
CID 70955592
5-Ethylidene-3-[2-[1-(4-fluoro-2-methylphenyl)ethenoxy]prop-2-enylidene]pyrrolidin-2-one
CID 123189927
CID 134864694
CID 134864694
6-methyl-4-phenylmethoxy-1H-pyridin-2-one
CID 2785734
3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one
CID 60027341
methyl (3E)-3-[methoxy(phenyl)methylidene]-2-oxo-5,6-dihydro-1H-indole-6-carboxylate
CID 68198833
(5Z)-5-[methoxy(phenyl)methylidene]pyrrolidine-2,3,4-trione
CID 69860678
5-[Methoxy(phenyl)methylidene]pyrrolidine-2,3,4-trione
CID 69860679
5-chloro-3-[(3-methoxyphenyl)methylidene]-3a,4-dihydro-1H-indol-2-one
CID 71245821
(3E)-3-[phenyl(phenylmethoxy)methylidene]pyrrolidine-2,5-dione
CID 89928084
5-[Methoxy(phenyl)methylidene]pyrrolidine-2,4-dione
CID 91278546
3,6-dimethyl-4-phenylmethoxy-1H-pyridin-2-one;ethane
CID 91397869

Frequently Asked Questions

What is the IUPAC name of 3-[methoxy(phenyl)methylidene]-3a,4-dihydro-1H-indol-2-one?
The IUPAC name of 3-[methoxy(phenyl)methylidene]-3a,4-dihydro-1H-indol-2-one (CID 141326664) is 3-[methoxy(phenyl)methylidene]-3a,4-dihydro-1H-indol-2-one.
What is the SMILES notation for 3-[methoxy(phenyl)methylidene]-3a,4-dihydro-1H-indol-2-one?
The canonical SMILES for 3-[methoxy(phenyl)methylidene]-3a,4-dihydro-1H-indol-2-one is COC(=C1C(=O)NC2=CC=CCC21)c1ccccc1.
What is the InChIKey of 3-[methoxy(phenyl)methylidene]-3a,4-dihydro-1H-indol-2-one?
The InChIKey is AOMVNKFCSPUPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-19-15(11-7-3-2-4-8-11)14-12-9-5-6-10-13(12)17-16(14)18/h2-8,10,12H,9H2,1H3,(H,17,18).
What are the key properties of 3-[methoxy(phenyl)methylidene]-3a,4-dihydro-1H-indol-2-one?
3-[methoxy(phenyl)methylidene]-3a,4-dihydro-1H-indol-2-one has a molecular weight of 253.30 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methoxy(phenyl)methylidene]-3a,4-dihydro-1H-indol-2-one is sourced from PubChem (CID 141326664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).