(2E,3E)-2-ethylidene-3-(2-nitroprop-2-enylidene)morpholine

C9H12N2O3 — CID 89038890

IUPAC(2E,3E)-2-ethylidene-3-(2-nitroprop-2-enylidene)morpholine
SMILESC=C(/C=C1/NCCO/C1=C/C)[N+](=O)[O-]
InChIInChI=1S/C9H12N2O3/c1-3-9-8(10-4-5-14-9)6-7(2)11(12)13/h3,6,10H,2,4-5H2,1H3/b8-6+,9-3+
InChIKeyQCZKZYDQEWSMQB-YMUMLDCZSA-N
MW196.21 g/mol
LogP1.18
Rot. Bonds2

About (2E,3E)-2-ethylidene-3-(2-nitroprop-2-enylidene)morpholine

(2E,3E)-2-ethylidene-3-(2-nitroprop-2-enylidene)morpholine (PubChem CID 89038890) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is (2E,3E)-2-ethylidene-3-(2-nitroprop-2-enylidene)morpholine.

Molecular Properties

Compound Name(2E,3E)-2-ethylidene-3-(2-nitroprop-2-enylidene)morpholine
PubChem CID89038890
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name(2E,3E)-2-ethylidene-3-(2-nitroprop-2-enylidene)morpholine
SMILESC=C(/C=C1/NCCO/C1=C/C)[N+](=O)[O-]
InChIInChI=1S/C9H12N2O3/c1-3-9-8(10-4-5-14-9)6-7(2)11(12)13/h3,6,10H,2,4-5H2,1H3/b8-6+,9-3+
InChIKeyQCZKZYDQEWSMQB-YMUMLDCZSA-N
XLogP1.18
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 51.18
H-Bond Donors ≤ 51
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'}

Analyze (2E,3E)-2-ethylidene-3-(2-nitroprop-2-enylidene)morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2-ethylidene-3-(2-nitroprop-2-enylidene)morpholine?
The IUPAC name of (2E,3E)-2-ethylidene-3-(2-nitroprop-2-enylidene)morpholine (CID 89038890) is (2E,3E)-2-ethylidene-3-(2-nitroprop-2-enylidene)morpholine.
What is the SMILES notation for (2E,3E)-2-ethylidene-3-(2-nitroprop-2-enylidene)morpholine?
The canonical SMILES for (2E,3E)-2-ethylidene-3-(2-nitroprop-2-enylidene)morpholine is C=C(/C=C1/NCCO/C1=C/C)[N+](=O)[O-].
What is the InChIKey of (2E,3E)-2-ethylidene-3-(2-nitroprop-2-enylidene)morpholine?
The InChIKey is QCZKZYDQEWSMQB-YMUMLDCZSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-3-9-8(10-4-5-14-9)6-7(2)11(12)13/h3,6,10H,2,4-5H2,1H3/b8-6+,9-3+.
What are the key properties of (2E,3E)-2-ethylidene-3-(2-nitroprop-2-enylidene)morpholine?
(2E,3E)-2-ethylidene-3-(2-nitroprop-2-enylidene)morpholine has a molecular weight of 196.21 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-ethylidene-3-(2-nitroprop-2-enylidene)morpholine is sourced from PubChem (CID 89038890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).