1-nitro-4-[(E)-2-prop-2-enoxyethenyl]benzene

C11H11NO3 — CID 102067711

IUPAC1-nitro-4-[(E)-2-prop-2-enoxyethenyl]benzene
SMILESC=CCO/C=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H11NO3/c1-2-8-15-9-7-10-3-5-11(6-4-10)12(13)14/h2-7,9H,1,8H2/b9-7+
InChIKeyORLOTRGTDRIRSC-VQHVLOKHSA-N
MW205.21 g/mol
LogP2.77
Rot. Bonds5

About 1-nitro-4-[(E)-2-prop-2-enoxyethenyl]benzene

1-nitro-4-[(E)-2-prop-2-enoxyethenyl]benzene (PubChem CID 102067711) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 1-nitro-4-[(E)-2-prop-2-enoxyethenyl]benzene.

Molecular Properties

Compound Name1-nitro-4-[(E)-2-prop-2-enoxyethenyl]benzene
PubChem CID102067711
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name1-nitro-4-[(E)-2-prop-2-enoxyethenyl]benzene
SMILESC=CCO/C=C/c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H11NO3/c1-2-8-15-9-7-10-3-5-11(6-4-10)12(13)14/h2-7,9H,1,8H2/b9-7+
InChIKeyORLOTRGTDRIRSC-VQHVLOKHSA-N
XLogP2.77
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', '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

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CID 12555318
1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
1-nitro-4-[(Z)-2-nitroethenyl]benzene
CID 19165773
dimethyl-[(E)-2-(4-nitrophenyl)ethenyl]sulfanium
CID 23271274
1-[(E)-3-bromoprop-1-enyl]-4-nitrobenzene
CID 10444388
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
prop-2-enyl (2E,4E)-3-ethoxy-5-(4-nitrophenyl)penta-2,4-dienoate
CID 11738206
5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol
CID 68740509
(4-nitrophenyl)methyl prop-2-enyl carbonate
CID 66609999
1-nitro-4-[2-[2-(4-nitrophenyl)ethenylsulfonylmethylsulfonyl]ethenyl]benzene
CID 72826289

Frequently Asked Questions

What is the IUPAC name of 1-nitro-4-[(E)-2-prop-2-enoxyethenyl]benzene?
The IUPAC name of 1-nitro-4-[(E)-2-prop-2-enoxyethenyl]benzene (CID 102067711) is 1-nitro-4-[(E)-2-prop-2-enoxyethenyl]benzene.
What is the SMILES notation for 1-nitro-4-[(E)-2-prop-2-enoxyethenyl]benzene?
The canonical SMILES for 1-nitro-4-[(E)-2-prop-2-enoxyethenyl]benzene is C=CCO/C=C/c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-nitro-4-[(E)-2-prop-2-enoxyethenyl]benzene?
The InChIKey is ORLOTRGTDRIRSC-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H11NO3/c1-2-8-15-9-7-10-3-5-11(6-4-10)12(13)14/h2-7,9H,1,8H2/b9-7+.
What are the key properties of 1-nitro-4-[(E)-2-prop-2-enoxyethenyl]benzene?
1-nitro-4-[(E)-2-prop-2-enoxyethenyl]benzene has a molecular weight of 205.21 g/mol, XLogP of 2.77, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-4-[(E)-2-prop-2-enoxyethenyl]benzene is sourced from PubChem (CID 102067711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).