2-[(E)-2-(2-nitrophenyl)ethenyl]oxirane

C10H9NO3 — CID 11819867

IUPAC2-[(E)-2-(2-nitrophenyl)ethenyl]oxirane
SMILESO=[N+]([O-])c1ccccc1/C=C/C1CO1
InChIInChI=1S/C10H9NO3/c12-11(13)10-4-2-1-3-8(10)5-6-9-7-14-9/h1-6,9H,7H2/b6-5+
InChIKeyKTVQRVCLLYIOCV-AATRIKPKSA-N
MW191.19 g/mol
LogP2.01
Rot. Bonds3

About 2-[(E)-2-(2-nitrophenyl)ethenyl]oxirane

2-[(E)-2-(2-nitrophenyl)ethenyl]oxirane (PubChem CID 11819867) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-[(E)-2-(2-nitrophenyl)ethenyl]oxirane.

Molecular Properties

Compound Name2-[(E)-2-(2-nitrophenyl)ethenyl]oxirane
PubChem CID11819867
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name2-[(E)-2-(2-nitrophenyl)ethenyl]oxirane
SMILESO=[N+]([O-])c1ccccc1/C=C/C1CO1
InChIInChI=1S/C10H9NO3/c12-11(13)10-4-2-1-3-8(10)5-6-9-7-14-9/h1-6,9H,7H2/b6-5+
InChIKeyKTVQRVCLLYIOCV-AATRIKPKSA-N
XLogP2.01
TPSA55.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.01
H-Bond Donors ≤ 50
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'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-(2-nitrophenyl)ethenyl]piperidine
CID 89361695
(2S,4R)-4-methyl-2-[(E)-2-(2-nitrophenyl)ethenyl]-1,3-dithiolane
CID 51708039
1,5-dinitro-4-[(Z)-2-(2-nitrophenyl)ethenyl]-2-[(E)-2-(2-nitrophenyl)ethenyl]benzene
CID 95239992
2-[(E)-2-(2-nitrophenyl)ethenyl]aniline
CID 11053766
2-[2-(2-nitrophenyl)ethenyl]aniline
CID 53440979
(5E)-1,6-bis(2-nitrophenyl)hexa-1,5-diene-3,4-dione
CID 5382706
1,5-bis(2-nitrophenyl)penta-1,4-dien-3-one
CID 91254443
2-methyl-2-[2-(2-nitrophenyl)ethenyl]-1,3-dioxolane
CID 67020081
3-(2-nitrophenyl)-N-[3-(2-nitrophenyl)prop-2-enylideneamino]prop-2-en-1-imine
CID 4665830
1-[(E)-but-1-enyl]-2-nitrobenzene
CID 15667952
1-(3-iodoprop-1-enyl)-2-nitrobenzene
CID 71425895
sodium 2-nitrobenzaldehyde
CID 23669302

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-nitrophenyl)ethenyl]oxirane?
The IUPAC name of 2-[(E)-2-(2-nitrophenyl)ethenyl]oxirane (CID 11819867) is 2-[(E)-2-(2-nitrophenyl)ethenyl]oxirane.
What is the SMILES notation for 2-[(E)-2-(2-nitrophenyl)ethenyl]oxirane?
The canonical SMILES for 2-[(E)-2-(2-nitrophenyl)ethenyl]oxirane is O=[N+]([O-])c1ccccc1/C=C/C1CO1.
What is the InChIKey of 2-[(E)-2-(2-nitrophenyl)ethenyl]oxirane?
The InChIKey is KTVQRVCLLYIOCV-AATRIKPKSA-N. The full InChI is InChI=1S/C10H9NO3/c12-11(13)10-4-2-1-3-8(10)5-6-9-7-14-9/h1-6,9H,7H2/b6-5+.
What are the key properties of 2-[(E)-2-(2-nitrophenyl)ethenyl]oxirane?
2-[(E)-2-(2-nitrophenyl)ethenyl]oxirane has a molecular weight of 191.19 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-nitrophenyl)ethenyl]oxirane is sourced from PubChem (CID 11819867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).