2-(2-nitrophenoxy)ethyl prop-2-enoate

C11H11NO5 — CID 102248252

IUPAC2-(2-nitrophenoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H11NO5/c1-2-11(13)17-8-7-16-10-6-4-3-5-9(10)12(14)15/h2-6H,1,7-8H2
InChIKeyQTKVAKFHEHBKJQ-UHFFFAOYSA-N
MW237.21 g/mol
LogP1.70
Rot. Bonds6

About 2-(2-nitrophenoxy)ethyl prop-2-enoate

2-(2-nitrophenoxy)ethyl prop-2-enoate (PubChem CID 102248252) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is 2-(2-nitrophenoxy)ethyl prop-2-enoate.

Molecular Properties

Compound Name2-(2-nitrophenoxy)ethyl prop-2-enoate
PubChem CID102248252
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name2-(2-nitrophenoxy)ethyl prop-2-enoate
SMILESC=CC(=O)OCCOc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C11H11NO5/c1-2-11(13)17-8-7-16-10-6-4-3-5-9(10)12(14)15/h2-6H,1,7-8H2
InChIKeyQTKVAKFHEHBKJQ-UHFFFAOYSA-N
XLogP1.70
TPSA78.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'}

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Related Compounds

3-(2-nitrophenyl)propyl prop-2-enoate
CID 70496530
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
2-(2,3-dinitrophenyl)ethyl prop-2-enoate
CID 88709504
3-(2-nitrophenoxy)propan-1-ol
CID 18791292
5-(2-nitrophenoxy)pentanehydrazide
CID 63576866
2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]aniline
CID 21205906
2-(2-propylphenoxy)ethyl prop-2-enoate
CID 154077444
5-(2-nitrophenoxy)pentanoic acid
CID 28971679
1-(2-ethoxyethoxy)-2-nitrobenzene
CID 23347822
11-(2-nitrophenoxy)undecan-1-amine
CID 25180908

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenoxy)ethyl prop-2-enoate?
The IUPAC name of 2-(2-nitrophenoxy)ethyl prop-2-enoate (CID 102248252) is 2-(2-nitrophenoxy)ethyl prop-2-enoate.
What is the SMILES notation for 2-(2-nitrophenoxy)ethyl prop-2-enoate?
The canonical SMILES for 2-(2-nitrophenoxy)ethyl prop-2-enoate is C=CC(=O)OCCOc1ccccc1[N+](=O)[O-].
What is the InChIKey of 2-(2-nitrophenoxy)ethyl prop-2-enoate?
The InChIKey is QTKVAKFHEHBKJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO5/c1-2-11(13)17-8-7-16-10-6-4-3-5-9(10)12(14)15/h2-6H,1,7-8H2.
What are the key properties of 2-(2-nitrophenoxy)ethyl prop-2-enoate?
2-(2-nitrophenoxy)ethyl prop-2-enoate has a molecular weight of 237.21 g/mol, XLogP of 1.70, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenoxy)ethyl prop-2-enoate is sourced from PubChem (CID 102248252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).