4-methylidene-2-(4-nitrophenyl)-6-propyloxane

C15H19NO3 — CID 102507433

IUPAC4-methylidene-2-(4-nitrophenyl)-6-propyloxane
SMILESC=C1CC(CCC)OC(c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C15H19NO3/c1-3-4-14-9-11(2)10-15(19-14)12-5-7-13(8-6-12)16(17)18/h5-8,14-15H,2-4,9-10H2,1H3
InChIKeyCYVLJBNZZIPYGH-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.17
Rot. Bonds4

About 4-methylidene-2-(4-nitrophenyl)-6-propyloxane

4-methylidene-2-(4-nitrophenyl)-6-propyloxane (PubChem CID 102507433) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-methylidene-2-(4-nitrophenyl)-6-propyloxane.

Molecular Properties

Compound Name4-methylidene-2-(4-nitrophenyl)-6-propyloxane
PubChem CID102507433
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name4-methylidene-2-(4-nitrophenyl)-6-propyloxane
SMILESC=C1CC(CCC)OC(c2ccc([N+](=O)[O-])cc2)C1
InChIInChI=1S/C15H19NO3/c1-3-4-14-9-11(2)10-15(19-14)12-5-7-13(8-6-12)16(17)18/h5-8,14-15H,2-4,9-10H2,1H3
InChIKeyCYVLJBNZZIPYGH-UHFFFAOYSA-N
XLogP4.17
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

(2R,5R)-2,5-bis(4-nitrophenyl)oxolane
CID 14770197
(1S,3R)-1-methyl-3-(4-nitrophenyl)-3,4-dihydro-1H-isochromene
CID 15425708
2,2-diethyl-3-(4-nitrophenyl)cyclobutan-1-one
CID 81416538
6-methyl-2-(4-nitrophenyl)-2,3-dihydropyran-4-one
CID 72760820
(2R,4S,6S)-2,4-bis(4-nitrophenyl)-6-phenyl-1,3-dioxane
CID 100817075
(2S,6S)-2-(4-nitrophenyl)-6-phenyl-1,3-oxazinan-4-one
CID 102323795
(2R,3S)-2-ethenyl-3-(4-nitrophenyl)oxirane
CID 15358071
(4S,6S)-4-ethyl-6-(4-nitrophenyl)-2-phenyl-1,3,2-dioxaborinane
CID 11001424
N,N-diethyl-4-[(2S,5R)-5-(4-nitrophenyl)-1,3-oxazolidin-2-yl]aniline
CID 743655
3,3-dimethyl-1-[(1S,3R)-3-(4-nitrophenyl)-3,4-dihydro-1H-isochromen-1-yl]butan-2-one
CID 10970249
trimethyl-[(E)-2-[(2R,3R)-3-(4-nitrophenyl)oxiran-2-yl]ethenyl]silane
CID 101241776
(2S,3S,4R,6S)-4-chloro-3-(chloromethyl)-6-ethyl-2-(4-nitrophenyl)oxane
CID 177474556

Frequently Asked Questions

What is the IUPAC name of 4-methylidene-2-(4-nitrophenyl)-6-propyloxane?
The IUPAC name of 4-methylidene-2-(4-nitrophenyl)-6-propyloxane (CID 102507433) is 4-methylidene-2-(4-nitrophenyl)-6-propyloxane.
What is the SMILES notation for 4-methylidene-2-(4-nitrophenyl)-6-propyloxane?
The canonical SMILES for 4-methylidene-2-(4-nitrophenyl)-6-propyloxane is C=C1CC(CCC)OC(c2ccc([N+](=O)[O-])cc2)C1.
What is the InChIKey of 4-methylidene-2-(4-nitrophenyl)-6-propyloxane?
The InChIKey is CYVLJBNZZIPYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-3-4-14-9-11(2)10-15(19-14)12-5-7-13(8-6-12)16(17)18/h5-8,14-15H,2-4,9-10H2,1H3.
What are the key properties of 4-methylidene-2-(4-nitrophenyl)-6-propyloxane?
4-methylidene-2-(4-nitrophenyl)-6-propyloxane has a molecular weight of 261.32 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-2-(4-nitrophenyl)-6-propyloxane is sourced from PubChem (CID 102507433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).