2-ethyl-2-(2-nitrophenyl)-1,3-dioxolane

C11H13NO4 — CID 10036531

IUPAC2-ethyl-2-(2-nitrophenyl)-1,3-dioxolane
SMILESCCC1(c2ccccc2[N+](=O)[O-])OCCO1
InChIInChI=1S/C11H13NO4/c1-2-11(15-7-8-16-11)9-5-3-4-6-10(9)12(13)14/h3-6H,2,7-8H2,1H3
InChIKeyBPJLQYKBXJZJJD-UHFFFAOYSA-N
MW223.23 g/mol
LogP2.20
Rot. Bonds3

About 2-ethyl-2-(2-nitrophenyl)-1,3-dioxolane

2-ethyl-2-(2-nitrophenyl)-1,3-dioxolane (PubChem CID 10036531) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-ethyl-2-(2-nitrophenyl)-1,3-dioxolane.

Molecular Properties

Compound Name2-ethyl-2-(2-nitrophenyl)-1,3-dioxolane
PubChem CID10036531
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Name2-ethyl-2-(2-nitrophenyl)-1,3-dioxolane
SMILESCCC1(c2ccccc2[N+](=O)[O-])OCCO1
InChIInChI=1S/C11H13NO4/c1-2-11(15-7-8-16-11)9-5-3-4-6-10(9)12(13)14/h3-6H,2,7-8H2,1H3
InChIKeyBPJLQYKBXJZJJD-UHFFFAOYSA-N
XLogP2.20
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(2-nitrophenyl)-1,3-dioxolane?
The IUPAC name of 2-ethyl-2-(2-nitrophenyl)-1,3-dioxolane (CID 10036531) is 2-ethyl-2-(2-nitrophenyl)-1,3-dioxolane.
What is the SMILES notation for 2-ethyl-2-(2-nitrophenyl)-1,3-dioxolane?
The canonical SMILES for 2-ethyl-2-(2-nitrophenyl)-1,3-dioxolane is CCC1(c2ccccc2[N+](=O)[O-])OCCO1.
What is the InChIKey of 2-ethyl-2-(2-nitrophenyl)-1,3-dioxolane?
The InChIKey is BPJLQYKBXJZJJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-2-11(15-7-8-16-11)9-5-3-4-6-10(9)12(13)14/h3-6H,2,7-8H2,1H3.
What are the key properties of 2-ethyl-2-(2-nitrophenyl)-1,3-dioxolane?
2-ethyl-2-(2-nitrophenyl)-1,3-dioxolane has a molecular weight of 223.23 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(2-nitrophenyl)-1,3-dioxolane is sourced from PubChem (CID 10036531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).