(3E)-3-[(4-methoxynaphthalen-1-yl)methylidene]pyrrolidine-2,5-dione

C16H13NO3 — CID 71193014

IUPAC(3E)-3-[(4-methoxynaphthalen-1-yl)methylidene]pyrrolidine-2,5-dione
SMILESCOc1ccc(/C=C2\CC(=O)NC2=O)c2ccccc12
InChIInChI=1S/C16H13NO3/c1-20-14-7-6-10(12-4-2-3-5-13(12)14)8-11-9-15(18)17-16(11)19/h2-8H,9H2,1H3,(H,17,18,19)/b11-8+
InChIKeyAWRCXKZOQMLJHU-DHZHZOJOSA-N
MW267.28 g/mol
LogP2.28
Rot. Bonds2

About (3E)-3-[(4-methoxynaphthalen-1-yl)methylidene]pyrrolidine-2,5-dione

(3E)-3-[(4-methoxynaphthalen-1-yl)methylidene]pyrrolidine-2,5-dione (PubChem CID 71193014) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is (3E)-3-[(4-methoxynaphthalen-1-yl)methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3E)-3-[(4-methoxynaphthalen-1-yl)methylidene]pyrrolidine-2,5-dione
PubChem CID71193014
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name(3E)-3-[(4-methoxynaphthalen-1-yl)methylidene]pyrrolidine-2,5-dione
SMILESCOc1ccc(/C=C2\CC(=O)NC2=O)c2ccccc12
InChIInChI=1S/C16H13NO3/c1-20-14-7-6-10(12-4-2-3-5-13(12)14)8-11-9-15(18)17-16(11)19/h2-8H,9H2,1H3,(H,17,18,19)/b11-8+
InChIKeyAWRCXKZOQMLJHU-DHZHZOJOSA-N
XLogP2.28
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-methoxynaphthalen-1-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 2864374
5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-diazinane-2,4,6-trione
CID 2299862
3-[[2-(methoxymethyl)phenyl]methylidene]pyrrolidine-2,5-dione
CID 77073996
5-[(4-methoxynaphthalen-1-yl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 1353230
5-[(4-methoxynaphthalen-1-yl)methylidene]-1-(4-methylphenyl)-1,3-diazinane-2,4,6-trione
CID 1353396
(5Z)-5-[(4-methoxynaphthalen-1-yl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 2201824
(3E)-3-[(4-methoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 160654115
(5E)-5-[(4-methoxynaphthalen-1-yl)methylidene]-1-(2-methoxyphenyl)-1,3-diazinane-2,4,6-trione
CID 2201859
(5Z)-2-(3-chloro-2-methylphenyl)imino-5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one
CID 137064697
(5E)-2-(3-chloro-2-methylphenyl)imino-5-[(4-methoxynaphthalen-1-yl)methylidene]-1,3-thiazolidin-4-one
CID 137022125
1-(2,2-dibromoethenyl)-4-methoxynaphthalene
CID 154991789
3-[(3,5-dimethoxyphenyl)methylidene]pyrrolidine-2,5-dione
CID 77039937

Frequently Asked Questions

What is the IUPAC name of (3E)-3-[(4-methoxynaphthalen-1-yl)methylidene]pyrrolidine-2,5-dione?
The IUPAC name of (3E)-3-[(4-methoxynaphthalen-1-yl)methylidene]pyrrolidine-2,5-dione (CID 71193014) is (3E)-3-[(4-methoxynaphthalen-1-yl)methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for (3E)-3-[(4-methoxynaphthalen-1-yl)methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for (3E)-3-[(4-methoxynaphthalen-1-yl)methylidene]pyrrolidine-2,5-dione is COc1ccc(/C=C2\CC(=O)NC2=O)c2ccccc12.
What is the InChIKey of (3E)-3-[(4-methoxynaphthalen-1-yl)methylidene]pyrrolidine-2,5-dione?
The InChIKey is AWRCXKZOQMLJHU-DHZHZOJOSA-N. The full InChI is InChI=1S/C16H13NO3/c1-20-14-7-6-10(12-4-2-3-5-13(12)14)8-11-9-15(18)17-16(11)19/h2-8H,9H2,1H3,(H,17,18,19)/b11-8+.
What are the key properties of (3E)-3-[(4-methoxynaphthalen-1-yl)methylidene]pyrrolidine-2,5-dione?
(3E)-3-[(4-methoxynaphthalen-1-yl)methylidene]pyrrolidine-2,5-dione has a molecular weight of 267.28 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(4-methoxynaphthalen-1-yl)methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 71193014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).