(5E)-4-(4-chlorophenyl)-5-(dimethylaminomethylidene)-2-oxofuran-3-carbonitrile

C14H11ClN2O2 — CID 1482484

IUPAC(5E)-4-(4-chlorophenyl)-5-(dimethylaminomethylidene)-2-oxofuran-3-carbonitrile
SMILESCN(C)/C=C1/OC(=O)C(C#N)=C1c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O2/c1-17(2)8-12-13(11(7-16)14(18)19-12)9-3-5-10(15)6-4-9/h3-6,8H,1-2H3/b12-8+
InChIKeyWVPVOFWFIWRJMZ-XYOKQWHBSA-N
MW274.71 g/mol
LogP2.58
Rot. Bonds2

About (5E)-4-(4-chlorophenyl)-5-(dimethylaminomethylidene)-2-oxofuran-3-carbonitrile

(5E)-4-(4-chlorophenyl)-5-(dimethylaminomethylidene)-2-oxofuran-3-carbonitrile (PubChem CID 1482484) has the molecular formula C14H11ClN2O2 and a molecular weight of 274.71 g/mol. Its IUPAC name is (5E)-4-(4-chlorophenyl)-5-(dimethylaminomethylidene)-2-oxofuran-3-carbonitrile.

Molecular Properties

Compound Name(5E)-4-(4-chlorophenyl)-5-(dimethylaminomethylidene)-2-oxofuran-3-carbonitrile
PubChem CID1482484
Molecular FormulaC14H11ClN2O2
Molecular Weight274.71 g/mol
Exact Mass274.05
IUPAC Name(5E)-4-(4-chlorophenyl)-5-(dimethylaminomethylidene)-2-oxofuran-3-carbonitrile
SMILESCN(C)/C=C1/OC(=O)C(C#N)=C1c1ccc(Cl)cc1
InChIInChI=1S/C14H11ClN2O2/c1-17(2)8-12-13(11(7-16)14(18)19-12)9-3-5-10(15)6-4-9/h3-6,8H,1-2H3/b12-8+
InChIKeyWVPVOFWFIWRJMZ-XYOKQWHBSA-N
XLogP2.58
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-Chlorophenyl)-2-oxo-2,5-dihydro-3-furancarbonitrile
CID 2821544
5-(Dimethylaminomethylidene)-2-oxo-4-phenylfuran-3-carbonitrile
CID 6538287
4-[2-Bromoethyl(methyl)amino]-6-(4-chlorophenyl)-2-oxopyran-3-carbonitrile
CID 90667005
6-(4-chlorophenyl)-2-oxo-4-(1-pyrrolidinyl)-2H-pyran-3-carbonitrile
CID 11243533
Difunone
CID 92233
5-(4-Chlorophenyl)-3-[(dimethylamino)methylidene]furan-2(3h)-one
CID 171393743
6-(4-Chlorophenyl)-4-(dimethylamino)-2-oxopyran-3-carbonitrile
CID 10564293
1-cyano-1-methoxycarbonyl-4-(N,N-dimethylamino)-2-(4-chlorophenyl)-1,3-butadiene
CID 53771739
methyl (2E,4Z)-3-(4-chlorophenyl)-2-cyano-5-(dimethylamino)penta-2,4-dienoate
CID 88422126
Ethyl 2-(4-chlorophenyl)-3,3-dicyanoprop-2-enoate
CID 118141046
[4-(3-Chlorophenyl)-1-methyl-6-oxo-3-pyridinyl] propanoate
CID 174450556
(5Z)-4-(4-chlorophenyl)-5-(dimethylaminomethylidene)-2-oxofuran-3-carbonitrile
CID 1482485

Frequently Asked Questions

What is the IUPAC name of (5E)-4-(4-chlorophenyl)-5-(dimethylaminomethylidene)-2-oxofuran-3-carbonitrile?
The IUPAC name of (5E)-4-(4-chlorophenyl)-5-(dimethylaminomethylidene)-2-oxofuran-3-carbonitrile (CID 1482484) is (5E)-4-(4-chlorophenyl)-5-(dimethylaminomethylidene)-2-oxofuran-3-carbonitrile.
What is the SMILES notation for (5E)-4-(4-chlorophenyl)-5-(dimethylaminomethylidene)-2-oxofuran-3-carbonitrile?
The canonical SMILES for (5E)-4-(4-chlorophenyl)-5-(dimethylaminomethylidene)-2-oxofuran-3-carbonitrile is CN(C)/C=C1/OC(=O)C(C#N)=C1c1ccc(Cl)cc1.
What is the InChIKey of (5E)-4-(4-chlorophenyl)-5-(dimethylaminomethylidene)-2-oxofuran-3-carbonitrile?
The InChIKey is WVPVOFWFIWRJMZ-XYOKQWHBSA-N. The full InChI is InChI=1S/C14H11ClN2O2/c1-17(2)8-12-13(11(7-16)14(18)19-12)9-3-5-10(15)6-4-9/h3-6,8H,1-2H3/b12-8+.
What are the key properties of (5E)-4-(4-chlorophenyl)-5-(dimethylaminomethylidene)-2-oxofuran-3-carbonitrile?
(5E)-4-(4-chlorophenyl)-5-(dimethylaminomethylidene)-2-oxofuran-3-carbonitrile has a molecular weight of 274.71 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-4-(4-chlorophenyl)-5-(dimethylaminomethylidene)-2-oxofuran-3-carbonitrile is sourced from PubChem (CID 1482484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).