1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene

C19H15NO2 — CID 100934830

IUPAC1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene
SMILESCc1ccc(/C=C/c2cccc([N+](=O)[O-])c2)c2ccccc12
InChIInChI=1S/C19H15NO2/c1-14-9-11-16(19-8-3-2-7-18(14)19)12-10-15-5-4-6-17(13-15)20(21)22/h2-13H,1H3/b12-10+
InChIKeyZFGCFKSHQIWNIF-ZRDIBKRKSA-N
MW289.33 g/mol
LogP5.23
Rot. Bonds3

About 1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene

1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene (PubChem CID 100934830) has the molecular formula C19H15NO2 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene.

Molecular Properties

Compound Name1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene
PubChem CID100934830
Molecular FormulaC19H15NO2
Molecular Weight289.33 g/mol
Exact Mass289.11
IUPAC Name1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene
SMILESCc1ccc(/C=C/c2cccc([N+](=O)[O-])c2)c2ccccc12
InChIInChI=1S/C19H15NO2/c1-14-9-11-16(19-8-3-2-7-18(14)19)12-10-15-5-4-6-17(13-15)20(21)22/h2-13H,1H3/b12-10+
InChIKeyZFGCFKSHQIWNIF-ZRDIBKRKSA-N
XLogP5.23
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.33
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-nitro-3-[2-(3-nitrophenyl)ethenyl]benzene
CID 622998
1-methyl-4-nitro-2-(2-phenylethenyl)benzene
CID 816813
4-[(E)-2-(3-nitrophenyl)ethenyl]cinnoline
CID 21118397
1-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]-3-nitrobenzene
CID 23386675
3-methyl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
CID 5378684
1-methyl-4-[2-(3-nitrophenyl)ethenyl]cinnolin-1-ium
CID 54157738
2-methyl-3-[(E)-2-(3-nitrophenyl)ethenyl]quinoxaline
CID 5298402
(2,6-dimethylphenyl) 3-(3-nitrophenyl)prop-2-enoate
CID 723868
3-[(Z)-2-(3-nitrophenyl)ethenyl]aniline
CID 92527304
2-methoxy-1-methyl-3-nitro-4-(2-phenylethenyl)benzene
CID 139827300
12-[(E)-2-(3-nitrophenyl)ethenyl]benzo[a]acridine
CID 6526683
(E)-3-methyl-4-(3-nitrophenyl)but-3-en-2-ol
CID 103091267

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene?
The IUPAC name of 1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene (CID 100934830) is 1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene.
What is the SMILES notation for 1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene?
The canonical SMILES for 1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene is Cc1ccc(/C=C/c2cccc([N+](=O)[O-])c2)c2ccccc12.
What is the InChIKey of 1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene?
The InChIKey is ZFGCFKSHQIWNIF-ZRDIBKRKSA-N. The full InChI is InChI=1S/C19H15NO2/c1-14-9-11-16(19-8-3-2-7-18(14)19)12-10-15-5-4-6-17(13-15)20(21)22/h2-13H,1H3/b12-10+.
What are the key properties of 1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene?
1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene has a molecular weight of 289.33 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(E)-2-(3-nitrophenyl)ethenyl]naphthalene is sourced from PubChem (CID 100934830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).