naphthalen-2-yl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate

C21H15NO3 — CID 134147269

IUPACnaphthalen-2-yl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate
SMILESCN1C(=O)/C(=C/C(=O)Oc2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C21H15NO3/c1-22-19-9-5-4-8-17(19)18(21(22)24)13-20(23)25-16-11-10-14-6-2-3-7-15(14)12-16/h2-13H,1H3/b18-13+
InChIKeyMJCSNOBRLXYPLO-QGOAFFKASA-N
MW329.36 g/mol
LogP3.81
Rot. Bonds2

About naphthalen-2-yl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate

naphthalen-2-yl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate (PubChem CID 134147269) has the molecular formula C21H15NO3 and a molecular weight of 329.36 g/mol. Its IUPAC name is naphthalen-2-yl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate.

Molecular Properties

Compound Namenaphthalen-2-yl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate
PubChem CID134147269
Molecular FormulaC21H15NO3
Molecular Weight329.36 g/mol
Exact Mass329.11
IUPAC Namenaphthalen-2-yl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate
SMILESCN1C(=O)/C(=C/C(=O)Oc2ccc3ccccc3c2)c2ccccc21
InChIInChI=1S/C21H15NO3/c1-22-19-9-5-4-8-17(19)18(21(22)24)13-20(23)25-16-11-10-14-6-2-3-7-15(14)12-16/h2-13H,1H3/b18-13+
InChIKeyMJCSNOBRLXYPLO-QGOAFFKASA-N
XLogP3.81
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Oxyphenisatin Acetate
CID 8269
1-Acetyl-3,3-bis(4-(acetyloxy)phenyl)-1,3-dihydro-2H-indol-2-one
CID 29321
2,3-Dihydroindol-1-yl-(3-methoxynaphthalen-2-yl)methanone
CID 2634576
2,2,4-trimethyl-1,2-dihydroquinolin-6-yl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
CID 1349589
(2S)-2-(6-methoxynaphthalen-2-yl)-N-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]propanamide
CID 9328523
[4-[(E,3E)-3-(3-oxo-2-phenylisoindol-1-ylidene)hex-1-enyl]phenyl] acetate
CID 44142275
(3Z)-1-benzyl-3-[(E)-3-(4-methoxyphenyl)prop-2-enylidene]indol-2-one
CID 122182255
[4-(3-oxo-1H-isoindol-2-yl)phenyl] prop-2-enoate
CID 870529
1-[(3-Fluoro-4-methoxyphenyl)methyl]benzo[cd]indol-2-one
CID 3591209
2-naphthyl 3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)propanoate
CID 890786
[4-[(3E)-3-(3-oxo-2-phenylisoindol-1-ylidene)prop-1-ynyl]phenyl] acetate
CID 25058235
(3E)-3-[(3-phenoxyphenyl)methylidene]-1H-indol-2-one
CID 42613090

Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate?
The IUPAC name of naphthalen-2-yl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate (CID 134147269) is naphthalen-2-yl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate.
What is the SMILES notation for naphthalen-2-yl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate?
The canonical SMILES for naphthalen-2-yl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate is CN1C(=O)/C(=C/C(=O)Oc2ccc3ccccc3c2)c2ccccc21.
What is the InChIKey of naphthalen-2-yl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate?
The InChIKey is MJCSNOBRLXYPLO-QGOAFFKASA-N. The full InChI is InChI=1S/C21H15NO3/c1-22-19-9-5-4-8-17(19)18(21(22)24)13-20(23)25-16-11-10-14-6-2-3-7-15(14)12-16/h2-13H,1H3/b18-13+.
What are the key properties of naphthalen-2-yl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate?
naphthalen-2-yl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate has a molecular weight of 329.36 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl (2E)-2-(1-methyl-2-oxoindol-3-ylidene)acetate is sourced from PubChem (CID 134147269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).