(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'}

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Related Compounds

(2E)-2-[(Z)-3-bromo-2,3-dichloro-1-nitroprop-2-enylidene]-1,3-oxazolidine
CID 6041231
(2E,3E)-3-ethylidene-2-(4-methylpentylidene)morpholine
CID 167006848
(2E)-2-ethylidene-3-methylidene-1,4-dioxane
CID 144611337
2-nitrobuta-1,3-diene
CID 12591973
4-methyl-2-nitropenta-1,3-diene
CID 143291767
methyl (2Z)-2-nitro-2-(1,3-oxazinan-2-ylidene)acetate
CID 13251769
ethane;6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 142875398
1,3-oxazolidin-2-one;propan-1-ol
CID 144673356
4-[(2E)-4-nitropenta-2,4-dien-2-yl]pyridine
CID 126583837
5-methyl-3,4-dihydro-2H-1,4-oxazepin-7-one
CID 55288246
(3Z)-2-fluoro-3-methyl-5-nitrohexa-1,3,5-triene
CID 143715947
8-nitro-3,4-dihydro-2H-1,4-benzoxazine;hydrochloride
CID 46907963

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).