(5Z)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]furan-2-one

C20H19NO2 — CID 24861889

IUPAC(5Z)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]furan-2-one
SMILESCN(C)c1ccc(/C=C2/C=C(Cc3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C20H19NO2/c1-21(2)18-10-8-16(9-11-18)13-19-14-17(20(22)23-19)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3/b19-13-
InChIKeyKSEFAMKSGPUDAN-UYRXBGFRSA-N
MW305.38 g/mol
LogP3.82
Rot. Bonds4

About (5Z)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]furan-2-one

(5Z)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]furan-2-one (PubChem CID 24861889) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is (5Z)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]furan-2-one.

Molecular Properties

Compound Name(5Z)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]furan-2-one
PubChem CID24861889
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name(5Z)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]furan-2-one
SMILESCN(C)c1ccc(/C=C2/C=C(Cc3ccccc3)C(=O)O2)cc1
InChIInChI=1S/C20H19NO2/c1-21(2)18-10-8-16(9-11-18)13-19-14-17(20(22)23-19)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3/b19-13-
InChIKeyKSEFAMKSGPUDAN-UYRXBGFRSA-N
XLogP3.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}

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Related Compounds

Benzyl 4-(dimethylamino)benzoate
CID 803407
ethyl 4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-2-oxo-6-phenylcyclohex-3-ene-1-carboxylate
CID 6263418
(4Z)-4-[[4-(dibutylamino)phenyl]methylidene]-3-phenyl-1,2-oxazol-5-one
CID 11740270
3-[4-(Dimethylamino)phenyl]isochromen-1-one
CID 25058362
3-[[4-(Dimethylamino)phenyl]methylidene]-5-phenylfuran-2-one
CID 284644
(4-(Dimethylamino)benzoyl) 4-(dimethylamino)benzoate
CID 344732
Ethyl 2-benzoyl-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 367081
6-[(1E,3E)-4-(4-dimethylaminophenyl)buta-1,3-dienyl]-4-methoxy-pyran-2-one
CID 57395294
(E)-N-[4-[(2-methylidene-5-oxofuran-3-yl)methyl]phenyl]-3-phenylprop-2-enamide
CID 137652092
N-[4-[(2-methylidene-5-oxofuran-3-yl)methyl]phenyl]-2-(4-methylphenyl)acetamide
CID 137662209
[(3S,7R,8R,9E,12S)-10-methyl-6-methylidene-5,14-dioxo-4,13-dioxatricyclo[10.2.1.03,7]pentadeca-1(15),9-dien-8-yl] (E)-3-[4-(dimethylamino)phenyl]prop-2-enoate
CID 168293536
ethyl 2-methyl-1,4-diphenyl-4H-pyridine-3-carboxylate
CID 45483891

Frequently Asked Questions

What is the IUPAC name of (5Z)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]furan-2-one?
The IUPAC name of (5Z)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]furan-2-one (CID 24861889) is (5Z)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]furan-2-one.
What is the SMILES notation for (5Z)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]furan-2-one?
The canonical SMILES for (5Z)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]furan-2-one is CN(C)c1ccc(/C=C2/C=C(Cc3ccccc3)C(=O)O2)cc1.
What is the InChIKey of (5Z)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]furan-2-one?
The InChIKey is KSEFAMKSGPUDAN-UYRXBGFRSA-N. The full InChI is InChI=1S/C20H19NO2/c1-21(2)18-10-8-16(9-11-18)13-19-14-17(20(22)23-19)12-15-6-4-3-5-7-15/h3-11,13-14H,12H2,1-2H3/b19-13-.
What are the key properties of (5Z)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]furan-2-one?
(5Z)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]furan-2-one has a molecular weight of 305.38 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-3-benzyl-5-[[4-(dimethylamino)phenyl]methylidene]furan-2-one is sourced from PubChem (CID 24861889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).