(2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal

C11H9NO3 — CID 92856070

IUPAC(2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal
SMILESO=C/C=C\C=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H9NO3/c13-9-3-1-2-4-10-5-7-11(8-6-10)12(14)15/h1-9H/b3-1-,4-2+
InChIKeyBKLWQDSDJBFRDF-HSFFGMMNSA-N
MW203.20 g/mol
LogP2.36
Rot. Bonds4

About (2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal

(2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal (PubChem CID 92856070) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is (2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal.

Molecular Properties

Compound Name(2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal
PubChem CID92856070
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name(2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal
SMILESO=C/C=C\C=C\c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C11H9NO3/c13-9-3-1-2-4-10-5-7-11(8-6-10)12(14)15/h1-9H/b3-1-,4-2+
InChIKeyBKLWQDSDJBFRDF-HSFFGMMNSA-N
XLogP2.36
TPSA60.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
1-nitro-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]benzene
CID 6258529
(2E,4E)-5-(4-nitrophenyl)penta-2,4-dienenitrile
CID 15061744
(E)-3-[4-[(1E,3E,5E)-6-[4-[(E)-3-oxoprop-1-enyl]phenyl]hexa-1,3,5-trienyl]phenyl]prop-2-enal
CID 10427370
5-(4-penta-1,3-dienylphenyl)penta-2,4-dienal
CID 155487828
(2E,4E)-N-methoxy-N-methyl-5-(4-nitrophenyl)penta-2,4-dienamide
CID 134907476
1-nitro-4-[(Z)-2-nitroethenyl]benzene
CID 19165773
(Z)-N,N-dimethyl-2-(4-nitrophenyl)ethenamine
CID 129396648
trimethyl-[(E)-2-(4-nitrophenyl)ethenyl]silane
CID 13196779
1-nitro-4-[(1E,3E,5E)-6-(4-propoxyphenyl)hexa-1,3,5-trienyl]benzene
CID 139039273
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

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal?
The IUPAC name of (2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal (CID 92856070) is (2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal.
What is the SMILES notation for (2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal?
The canonical SMILES for (2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal is O=C/C=C\C=C\c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal?
The InChIKey is BKLWQDSDJBFRDF-HSFFGMMNSA-N. The full InChI is InChI=1S/C11H9NO3/c13-9-3-1-2-4-10-5-7-11(8-6-10)12(14)15/h1-9H/b3-1-,4-2+.
What are the key properties of (2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal?
(2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal has a molecular weight of 203.20 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-(4-nitrophenyl)penta-2,4-dienal is sourced from PubChem (CID 92856070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).