2-[(E)-2-(4-nitrophenyl)ethenyl]cyclopenta-2,4-dien-1-ol

C13H11NO3 — CID 100932382

IUPAC2-[(E)-2-(4-nitrophenyl)ethenyl]cyclopenta-2,4-dien-1-ol
SMILESO=[N+]([O-])c1ccc(/C=C/C2=CC=CC2O)cc1
InChIInChI=1S/C13H11NO3/c15-13-3-1-2-11(13)7-4-10-5-8-12(9-6-10)14(16)17/h1-9,13,15H/b7-4+
InChIKeyOEPBRMJWRMQGNM-QPJJXVBHSA-N
MW229.23 g/mol
LogP2.47
Rot. Bonds3

About 2-[(E)-2-(4-nitrophenyl)ethenyl]cyclopenta-2,4-dien-1-ol

2-[(E)-2-(4-nitrophenyl)ethenyl]cyclopenta-2,4-dien-1-ol (PubChem CID 100932382) has the molecular formula C13H11NO3 and a molecular weight of 229.23 g/mol. Its IUPAC name is 2-[(E)-2-(4-nitrophenyl)ethenyl]cyclopenta-2,4-dien-1-ol.

Molecular Properties

Compound Name2-[(E)-2-(4-nitrophenyl)ethenyl]cyclopenta-2,4-dien-1-ol
PubChem CID100932382
Molecular FormulaC13H11NO3
Molecular Weight229.23 g/mol
Exact Mass229.07
IUPAC Name2-[(E)-2-(4-nitrophenyl)ethenyl]cyclopenta-2,4-dien-1-ol
SMILESO=[N+]([O-])c1ccc(/C=C/C2=CC=CC2O)cc1
InChIInChI=1S/C13H11NO3/c15-13-3-1-2-11(13)7-4-10-5-8-12(9-6-10)14(16)17/h1-9,13,15H/b7-4+
InChIKeyOEPBRMJWRMQGNM-QPJJXVBHSA-N
XLogP2.47
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Related Compounds

1-[(E)-2-cyclopenta-2,4-dien-1-ylethenyl]-4-[(Z)-2-(4-nitrophenyl)ethenyl]benzene
CID 101089692
1-[(E)-2-(2-methylcyclopenta-2,4-dien-1-yl)ethenyl]-4-nitrobenzene
CID 100932380
trimethyl-[(E)-2-(4-nitrophenyl)ethenyl]silane
CID 13196779
1-methyl-4-[(E)-2-[4-[(E)-2-(4-nitrophenyl)ethenyl]phenyl]ethenyl]benzene
CID 118944433
4-[(E)-2-(4-nitrophenyl)ethenyl]aniline
CID 5376981
5-[2-(4-nitrophenyl)ethenyl]benzene-1,3-diol
CID 68740509
1-nitro-4-[(1E,3E,5E)-6-(4-nitrophenyl)hexa-1,3,5-trienyl]benzene
CID 6177872
3-[2-(4-nitrophenyl)ethenyl]-1H-pyrrole
CID 67879707
1-nitro-4-[(Z)-2-nitroethenyl]benzene
CID 19165773
[(E)-2-(4-nitrophenyl)ethenyl]boronic acid
CID 6031418
1-[(E)-2-hydroxysulfanylethenyl]-4-nitrobenzene
CID 143668181
1-[(E)-2-(4-nitrophenyl)ethenyl]-4-phenylbenzene
CID 6242844

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-nitrophenyl)ethenyl]cyclopenta-2,4-dien-1-ol?
The IUPAC name of 2-[(E)-2-(4-nitrophenyl)ethenyl]cyclopenta-2,4-dien-1-ol (CID 100932382) is 2-[(E)-2-(4-nitrophenyl)ethenyl]cyclopenta-2,4-dien-1-ol.
What is the SMILES notation for 2-[(E)-2-(4-nitrophenyl)ethenyl]cyclopenta-2,4-dien-1-ol?
The canonical SMILES for 2-[(E)-2-(4-nitrophenyl)ethenyl]cyclopenta-2,4-dien-1-ol is O=[N+]([O-])c1ccc(/C=C/C2=CC=CC2O)cc1.
What is the InChIKey of 2-[(E)-2-(4-nitrophenyl)ethenyl]cyclopenta-2,4-dien-1-ol?
The InChIKey is OEPBRMJWRMQGNM-QPJJXVBHSA-N. The full InChI is InChI=1S/C13H11NO3/c15-13-3-1-2-11(13)7-4-10-5-8-12(9-6-10)14(16)17/h1-9,13,15H/b7-4+.
What are the key properties of 2-[(E)-2-(4-nitrophenyl)ethenyl]cyclopenta-2,4-dien-1-ol?
2-[(E)-2-(4-nitrophenyl)ethenyl]cyclopenta-2,4-dien-1-ol has a molecular weight of 229.23 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-nitrophenyl)ethenyl]cyclopenta-2,4-dien-1-ol is sourced from PubChem (CID 100932382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).