(1E,5Z,7Z,9Z)-2-nitrocycloundeca-1,3,5,7,9-pentaene

C11H11NO2 — CID 163442833

IUPAC(1E,5Z,7Z,9Z)-2-nitrocycloundeca-1,3,5,7,9-pentaene
SMILESO=[N+]([O-])/C1=C/C/C=C\C=C/C=C\C=C1
InChIInChI=1S/C11H11NO2/c13-12(14)11-9-7-5-3-1-2-4-6-8-10-11/h1-7,9-10H,8H2/b2-1-,5-3-,6-4-,9-7?,11-10+
InChIKeyAZZJVZLIYFXUTH-DVMANTRHSA-N
MW189.21 g/mol
LogP2.78
Rot. Bonds1

About (1E,5Z,7Z,9Z)-2-nitrocycloundeca-1,3,5,7,9-pentaene

(1E,5Z,7Z,9Z)-2-nitrocycloundeca-1,3,5,7,9-pentaene (PubChem CID 163442833) has the molecular formula C11H11NO2 and a molecular weight of 189.21 g/mol. Its IUPAC name is (1E,5Z,7Z,9Z)-2-nitrocycloundeca-1,3,5,7,9-pentaene.

Molecular Properties

Compound Name(1E,5Z,7Z,9Z)-2-nitrocycloundeca-1,3,5,7,9-pentaene
PubChem CID163442833
Molecular FormulaC11H11NO2
Molecular Weight189.21 g/mol
Exact Mass189.08
IUPAC Name(1E,5Z,7Z,9Z)-2-nitrocycloundeca-1,3,5,7,9-pentaene
SMILESO=[N+]([O-])/C1=C/C/C=C\C=C/C=C\C=C1
InChIInChI=1S/C11H11NO2/c13-12(14)11-9-7-5-3-1-2-4-6-8-10-11/h1-7,9-10H,8H2/b2-1-,5-3-,6-4-,9-7?,11-10+
InChIKeyAZZJVZLIYFXUTH-DVMANTRHSA-N
XLogP2.78
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 52.78
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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Related Compounds

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1-nitrocyclohepta-1,2,4,6-tetraene
CID 71417334
1-amino-4-nitrocyclohexa-2,4-dien-1-ol
CID 22002613
(1E,3Z,5E)-cyclododeca-1,3,5,8,10-pentaene
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(1Z,3E,5Z,8E)-cyclododeca-1,3,5,8,10-pentaene
CID 173118485
(1Z,3Z,5Z,7Z,9Z)-cycloundeca-1,3,5,7,9-pentaene
CID 102477763
6-nitro-4H-azepine-2-carbaldehyde
CID 143120966
N-cyclohepta-1,4,6-trien-1-ylacetamide
CID 142183927
(2Z,4Z)-cycloocta-2,4,7-trien-1-one
CID 173381245
1-methyl-3-nitrocyclopenta-1,3-diene
CID 59035933
cyclohepta-1,4,6-trien-1-ol;propane
CID 143919108

Frequently Asked Questions

What is the IUPAC name of (1E,5Z,7Z,9Z)-2-nitrocycloundeca-1,3,5,7,9-pentaene?
The IUPAC name of (1E,5Z,7Z,9Z)-2-nitrocycloundeca-1,3,5,7,9-pentaene (CID 163442833) is (1E,5Z,7Z,9Z)-2-nitrocycloundeca-1,3,5,7,9-pentaene.
What is the SMILES notation for (1E,5Z,7Z,9Z)-2-nitrocycloundeca-1,3,5,7,9-pentaene?
The canonical SMILES for (1E,5Z,7Z,9Z)-2-nitrocycloundeca-1,3,5,7,9-pentaene is O=[N+]([O-])/C1=C/C/C=C\C=C/C=C\C=C1.
What is the InChIKey of (1E,5Z,7Z,9Z)-2-nitrocycloundeca-1,3,5,7,9-pentaene?
The InChIKey is AZZJVZLIYFXUTH-DVMANTRHSA-N. The full InChI is InChI=1S/C11H11NO2/c13-12(14)11-9-7-5-3-1-2-4-6-8-10-11/h1-7,9-10H,8H2/b2-1-,5-3-,6-4-,9-7?,11-10+.
What are the key properties of (1E,5Z,7Z,9Z)-2-nitrocycloundeca-1,3,5,7,9-pentaene?
(1E,5Z,7Z,9Z)-2-nitrocycloundeca-1,3,5,7,9-pentaene has a molecular weight of 189.21 g/mol, XLogP of 2.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,5Z,7Z,9Z)-2-nitrocycloundeca-1,3,5,7,9-pentaene is sourced from PubChem (CID 163442833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).