(4Z)-2-ethoxy-4-[(4-nitrophenyl)methylidene]oxolane

C13H15NO4 — CID 24776865

IUPAC(4Z)-2-ethoxy-4-[(4-nitrophenyl)methylidene]oxolane
SMILESCCOC1C/C(=C/c2ccc([N+](=O)[O-])cc2)CO1
InChIInChI=1S/C13H15NO4/c1-2-17-13-8-11(9-18-13)7-10-3-5-12(6-4-10)14(15)16/h3-7,13H,2,8-9H2,1H3/b11-7-
InChIKeyISMYYPPRLAFIKC-XFFZJAGNSA-N
MW249.27 g/mol
LogP2.76
Rot. Bonds4

About (4Z)-2-ethoxy-4-[(4-nitrophenyl)methylidene]oxolane

(4Z)-2-ethoxy-4-[(4-nitrophenyl)methylidene]oxolane (PubChem CID 24776865) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (4Z)-2-ethoxy-4-[(4-nitrophenyl)methylidene]oxolane.

Molecular Properties

Compound Name(4Z)-2-ethoxy-4-[(4-nitrophenyl)methylidene]oxolane
PubChem CID24776865
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(4Z)-2-ethoxy-4-[(4-nitrophenyl)methylidene]oxolane
SMILESCCOC1C/C(=C/c2ccc([N+](=O)[O-])cc2)CO1
InChIInChI=1S/C13H15NO4/c1-2-17-13-8-11(9-18-13)7-10-3-5-12(6-4-10)14(15)16/h3-7,13H,2,8-9H2,1H3/b11-7-
InChIKeyISMYYPPRLAFIKC-XFFZJAGNSA-N
XLogP2.76
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 52.76
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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Related Compounds

(2S)-2-[(2R,4Z)-4-[(4-nitrophenyl)methylidene]oxolan-2-yl]oxyoxane
CID 124779568
ethyl 3,5-bis[(4-nitrophenyl)methylidene]-4-oxocyclohexane-1-carboxylate
CID 75946127
2-ethoxy-6-nitro-3,4-dihydro-2H-chromene
CID 11253060
(4Z)-2-ethoxy-4-heptylideneoxolane
CID 14020269
ethyl 2-hydroxy-3-(4-nitrophenyl)prop-2-enoate
CID 71421178
ethyl (3E,5E)-3,5-bis[(4-nitrophenyl)methylidene]-4-oxopiperidine-1-carboxylate
CID 24829077
(5S)-5-ethoxy-1-(4-nitrophenyl)-4,5-dihydrotriazole
CID 92982302
(3E,7E)-3,7-bis[(4-nitrophenyl)methylidene]cycloheptane-1,2-dione
CID 6176725
1-(cyclobutylidenemethyl)-4-nitrobenzene;4-ethyl-2-methylaniline
CID 145267817
N-ethoxy-2-[(4-nitrophenyl)methylidene]cyclohexan-1-imine;N-methylmethanamine
CID 173451113
1-(4-nitrophenyl)-N-trimethylsilylmethanimine
CID 71350619
(5Z)-5-[(4-nitrophenyl)methylidene]furan-2-one
CID 6041483

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-ethoxy-4-[(4-nitrophenyl)methylidene]oxolane?
The IUPAC name of (4Z)-2-ethoxy-4-[(4-nitrophenyl)methylidene]oxolane (CID 24776865) is (4Z)-2-ethoxy-4-[(4-nitrophenyl)methylidene]oxolane.
What is the SMILES notation for (4Z)-2-ethoxy-4-[(4-nitrophenyl)methylidene]oxolane?
The canonical SMILES for (4Z)-2-ethoxy-4-[(4-nitrophenyl)methylidene]oxolane is CCOC1C/C(=C/c2ccc([N+](=O)[O-])cc2)CO1.
What is the InChIKey of (4Z)-2-ethoxy-4-[(4-nitrophenyl)methylidene]oxolane?
The InChIKey is ISMYYPPRLAFIKC-XFFZJAGNSA-N. The full InChI is InChI=1S/C13H15NO4/c1-2-17-13-8-11(9-18-13)7-10-3-5-12(6-4-10)14(15)16/h3-7,13H,2,8-9H2,1H3/b11-7-.
What are the key properties of (4Z)-2-ethoxy-4-[(4-nitrophenyl)methylidene]oxolane?
(4Z)-2-ethoxy-4-[(4-nitrophenyl)methylidene]oxolane has a molecular weight of 249.27 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-ethoxy-4-[(4-nitrophenyl)methylidene]oxolane is sourced from PubChem (CID 24776865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).