4-nitroso-5-phenyloxolane-3-carbaldehyde

C11H11NO3 — CID 10262354

IUPAC4-nitroso-5-phenyloxolane-3-carbaldehyde
SMILESO=CC1COC(c2ccccc2)C1N=O
InChIInChI=1S/C11H11NO3/c13-6-9-7-15-11(10(9)12-14)8-4-2-1-3-5-8/h1-6,9-11H,7H2
InChIKeyZCEQIGDJFOLMFN-UHFFFAOYSA-N
MW205.21 g/mol
LogP1.71
Rot. Bonds3

About 4-nitroso-5-phenyloxolane-3-carbaldehyde

4-nitroso-5-phenyloxolane-3-carbaldehyde (PubChem CID 10262354) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-nitroso-5-phenyloxolane-3-carbaldehyde.

Molecular Properties

Compound Name4-nitroso-5-phenyloxolane-3-carbaldehyde
PubChem CID10262354
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name4-nitroso-5-phenyloxolane-3-carbaldehyde
SMILESO=CC1COC(c2ccccc2)C1N=O
InChIInChI=1S/C11H11NO3/c13-6-9-7-15-11(10(9)12-14)8-4-2-1-3-5-8/h1-6,9-11H,7H2
InChIKeyZCEQIGDJFOLMFN-UHFFFAOYSA-N
XLogP1.71
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4-ethenyl-2-phenyloxolan-3-ol
CID 130149084
(2R,3R,4R)-4-ethenyl-3-nitro-2-phenyloxolane
CID 135041702
ethane;2-phenyloxirane
CID 54171856
2-phenyloxirane
CID 7276
(1R,2R)-4-methyl-2-phenylcyclohex-3-ene-1,3-dicarbaldehyde
CID 102406673
(2S,4R,4aR,6R,8aS)-2,6-diphenyl-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine-4-carbaldehyde
CID 680159
(3aS,6aR)-2-phenyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]dioxole-4-carbaldehyde
CID 146554515
2-phenylcycloheptane-1-carbaldehyde;prop-2-enal
CID 87968076
5-oxo-2-phenylcyclohexane-1-carbaldehyde
CID 86204280
(3aR,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-dicarbaldehyde
CID 129267682
(1S,2S,3S)-1,2-dideuterio-3-phenylcyclopropane-1-carbaldehyde
CID 24864594
(E)-3-[(2R,3R)-3-phenyloxiran-2-yl]prop-2-enal
CID 22845978

Frequently Asked Questions

What is the IUPAC name of 4-nitroso-5-phenyloxolane-3-carbaldehyde?
The IUPAC name of 4-nitroso-5-phenyloxolane-3-carbaldehyde (CID 10262354) is 4-nitroso-5-phenyloxolane-3-carbaldehyde.
What is the SMILES notation for 4-nitroso-5-phenyloxolane-3-carbaldehyde?
The canonical SMILES for 4-nitroso-5-phenyloxolane-3-carbaldehyde is O=CC1COC(c2ccccc2)C1N=O.
What is the InChIKey of 4-nitroso-5-phenyloxolane-3-carbaldehyde?
The InChIKey is ZCEQIGDJFOLMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c13-6-9-7-15-11(10(9)12-14)8-4-2-1-3-5-8/h1-6,9-11H,7H2.
What are the key properties of 4-nitroso-5-phenyloxolane-3-carbaldehyde?
4-nitroso-5-phenyloxolane-3-carbaldehyde has a molecular weight of 205.21 g/mol, XLogP of 1.71, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitroso-5-phenyloxolane-3-carbaldehyde is sourced from PubChem (CID 10262354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).