(E)-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]-2-naphthalen-1-ylprop-2-enenitrile

C24H16N2O3 — CID 126341936

IUPAC(E)-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]-2-naphthalen-1-ylprop-2-enenitrile
SMILESCc1ccc(-c2ccc(/C=C(/C#N)c3cccc4ccccc34)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C24H16N2O3/c1-16-9-10-18(14-23(16)26(27)28)24-12-11-20(29-24)13-19(15-25)22-8-4-6-17-5-2-3-7-21(17)22/h2-14H,1H3/b19-13-
InChIKeyYIRYMPNZQBIRLX-UYRXBGFRSA-N
MW380.40 g/mol
LogP6.38
Rot. Bonds4

About (E)-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]-2-naphthalen-1-ylprop-2-enenitrile

(E)-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]-2-naphthalen-1-ylprop-2-enenitrile (PubChem CID 126341936) has the molecular formula C24H16N2O3 and a molecular weight of 380.40 g/mol. Its IUPAC name is (E)-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]-2-naphthalen-1-ylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]-2-naphthalen-1-ylprop-2-enenitrile
PubChem CID126341936
Molecular FormulaC24H16N2O3
Molecular Weight380.40 g/mol
Exact Mass380.12
IUPAC Name(E)-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]-2-naphthalen-1-ylprop-2-enenitrile
SMILESCc1ccc(-c2ccc(/C=C(/C#N)c3cccc4ccccc34)o2)cc1[N+](=O)[O-]
InChIInChI=1S/C24H16N2O3/c1-16-9-10-18(14-23(16)26(27)28)24-12-11-20(29-24)13-19(15-25)22-8-4-6-17-5-2-3-7-21(17)22/h2-14H,1H3/b19-13-
InChIKeyYIRYMPNZQBIRLX-UYRXBGFRSA-N
XLogP6.38
TPSA80.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.40
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]naphthalene-1-carboxamide
CID 126183671
(Z)-2-cyano-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]prop-2-enamide
CID 874044
2-cyano-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]prop-2-enethioamide
CID 2984226
ethyl (Z)-2-cyano-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]prop-2-enoate
CID 2293752
2-(2-fluorophenyl)-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 5024762
(E)-3-[5-(3-bromo-4-methylphenyl)furan-2-yl]-2-(4-nitrophenyl)prop-2-enenitrile
CID 2212032
2-(2,4-dichlorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 4710166
2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile
CID 3704591
2-chloro-5-[5-[2-(2-chlorophenyl)-2-cyanoethenyl]furan-2-yl]benzoic acid
CID 3354345
(Z)-2-(3-fluorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 126397647
(E)-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile
CID 21374787
2-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
CID 800291

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]-2-naphthalen-1-ylprop-2-enenitrile?
The IUPAC name of (E)-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]-2-naphthalen-1-ylprop-2-enenitrile (CID 126341936) is (E)-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]-2-naphthalen-1-ylprop-2-enenitrile.
What is the SMILES notation for (E)-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]-2-naphthalen-1-ylprop-2-enenitrile?
The canonical SMILES for (E)-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]-2-naphthalen-1-ylprop-2-enenitrile is Cc1ccc(-c2ccc(/C=C(/C#N)c3cccc4ccccc34)o2)cc1[N+](=O)[O-].
What is the InChIKey of (E)-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]-2-naphthalen-1-ylprop-2-enenitrile?
The InChIKey is YIRYMPNZQBIRLX-UYRXBGFRSA-N. The full InChI is InChI=1S/C24H16N2O3/c1-16-9-10-18(14-23(16)26(27)28)24-12-11-20(29-24)13-19(15-25)22-8-4-6-17-5-2-3-7-21(17)22/h2-14H,1H3/b19-13-.
What are the key properties of (E)-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]-2-naphthalen-1-ylprop-2-enenitrile?
(E)-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]-2-naphthalen-1-ylprop-2-enenitrile has a molecular weight of 380.40 g/mol, XLogP of 6.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-methyl-3-nitrophenyl)furan-2-yl]-2-naphthalen-1-ylprop-2-enenitrile is sourced from PubChem (CID 126341936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).