(2R)-2-[(E)-2-nitroethenyl]oxane

C7H11NO3 — CID 124677206

IUPAC(2R)-2-[(E)-2-nitroethenyl]oxane
SMILESO=[N+]([O-])/C=C/[C@H]1CCCCO1
InChIInChI=1S/C7H11NO3/c9-8(10)5-4-7-3-1-2-6-11-7/h4-5,7H,1-3,6H2/b5-4+/t7-/m1/s1
InChIKeyYFUOWMHSOZTZAZ-SMMXGFFBSA-N
MW157.17 g/mol
LogP1.35
Rot. Bonds2

About (2R)-2-[(E)-2-nitroethenyl]oxane

(2R)-2-[(E)-2-nitroethenyl]oxane (PubChem CID 124677206) has the molecular formula C7H11NO3 and a molecular weight of 157.17 g/mol. Its IUPAC name is (2R)-2-[(E)-2-nitroethenyl]oxane.

Molecular Properties

Compound Name(2R)-2-[(E)-2-nitroethenyl]oxane
PubChem CID124677206
Molecular FormulaC7H11NO3
Molecular Weight157.17 g/mol
Exact Mass157.07
IUPAC Name(2R)-2-[(E)-2-nitroethenyl]oxane
SMILESO=[N+]([O-])/C=C/[C@H]1CCCCO1
InChIInChI=1S/C7H11NO3/c9-8(10)5-4-7-3-1-2-6-11-7/h4-5,7H,1-3,6H2/b5-4+/t7-/m1/s1
InChIKeyYFUOWMHSOZTZAZ-SMMXGFFBSA-N
XLogP1.35
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-[(E)-2-nitroethenyl]oxolane
CID 124585776
(2R)-oxane-2-carbaldehyde
CID 12648700
2-buta-1,3-dienyloxane
CID 150390930
2-but-1-enyloxane
CID 54120972
4-[(E)-2-(oxan-2-yl)ethenyl]piperidine
CID 126844589
2-[(E)-prop-1-enyl]oxolane
CID 12508233
(E)-3-[(2R)-oxolan-2-yl]prop-2-enoic acid
CID 124523017
(2R)-2-[(Z)-2-phenylethenyl]oxane
CID 135075421
1-[(1S,2R)-2-[(Z)-2-nitroethenyl]cyclohexyl]ethanone
CID 92857441
methyl (Z)-4-(oxan-2-yl)but-3-enoate
CID 117267638
(E)-4-(oxolan-2-yl)but-3-en-1-amine
CID 82838045
2-(2-nitroethyl)oxane
CID 14765796

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(E)-2-nitroethenyl]oxane?
The IUPAC name of (2R)-2-[(E)-2-nitroethenyl]oxane (CID 124677206) is (2R)-2-[(E)-2-nitroethenyl]oxane.
What is the SMILES notation for (2R)-2-[(E)-2-nitroethenyl]oxane?
The canonical SMILES for (2R)-2-[(E)-2-nitroethenyl]oxane is O=[N+]([O-])/C=C/[C@H]1CCCCO1.
What is the InChIKey of (2R)-2-[(E)-2-nitroethenyl]oxane?
The InChIKey is YFUOWMHSOZTZAZ-SMMXGFFBSA-N. The full InChI is InChI=1S/C7H11NO3/c9-8(10)5-4-7-3-1-2-6-11-7/h4-5,7H,1-3,6H2/b5-4+/t7-/m1/s1.
What are the key properties of (2R)-2-[(E)-2-nitroethenyl]oxane?
(2R)-2-[(E)-2-nitroethenyl]oxane has a molecular weight of 157.17 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(E)-2-nitroethenyl]oxane is sourced from PubChem (CID 124677206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).