[(E)-4-nitropent-3-enyl]benzene

C11H13NO2 — CID 6451259

IUPAC[(E)-4-nitropent-3-enyl]benzene
SMILESC/C(=C\CCc1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C11H13NO2/c1-10(12(13)14)6-5-9-11-7-3-2-4-8-11/h2-4,6-8H,5,9H2,1H3/b10-6+
InChIKeySMFPJHWJMUCPEM-UXBLZVDNSA-N
MW191.23 g/mol
LogP2.80
Rot. Bonds4

About [(E)-4-nitropent-3-enyl]benzene

[(E)-4-nitropent-3-enyl]benzene (PubChem CID 6451259) has the molecular formula C11H13NO2 and a molecular weight of 191.23 g/mol. Its IUPAC name is [(E)-4-nitropent-3-enyl]benzene.

Molecular Properties

Compound Name[(E)-4-nitropent-3-enyl]benzene
PubChem CID6451259
Molecular FormulaC11H13NO2
Molecular Weight191.23 g/mol
Exact Mass191.09
IUPAC Name[(E)-4-nitropent-3-enyl]benzene
SMILESC/C(=C\CCc1ccccc1)[N+](=O)[O-]
InChIInChI=1S/C11H13NO2/c1-10(12(13)14)6-5-9-11-7-3-2-4-8-11/h2-4,6-8H,5,9H2,1H3/b10-6+
InChIKeySMFPJHWJMUCPEM-UXBLZVDNSA-N
XLogP2.80
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 52.80
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'}

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Frequently Asked Questions

What is the IUPAC name of [(E)-4-nitropent-3-enyl]benzene?
The IUPAC name of [(E)-4-nitropent-3-enyl]benzene (CID 6451259) is [(E)-4-nitropent-3-enyl]benzene.
What is the SMILES notation for [(E)-4-nitropent-3-enyl]benzene?
The canonical SMILES for [(E)-4-nitropent-3-enyl]benzene is C/C(=C\CCc1ccccc1)[N+](=O)[O-].
What is the InChIKey of [(E)-4-nitropent-3-enyl]benzene?
The InChIKey is SMFPJHWJMUCPEM-UXBLZVDNSA-N. The full InChI is InChI=1S/C11H13NO2/c1-10(12(13)14)6-5-9-11-7-3-2-4-8-11/h2-4,6-8H,5,9H2,1H3/b10-6+.
What are the key properties of [(E)-4-nitropent-3-enyl]benzene?
[(E)-4-nitropent-3-enyl]benzene has a molecular weight of 191.23 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-4-nitropent-3-enyl]benzene is sourced from PubChem (CID 6451259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).