2-methyl-4-nitrosooxolane-3-carbaldehyde

C6H9NO3 — CID 10240914

IUPAC2-methyl-4-nitrosooxolane-3-carbaldehyde
SMILESCC1OCC(N=O)C1C=O
InChIInChI=1S/C6H9NO3/c1-4-5(2-8)6(7-9)3-10-4/h2,4-6H,3H2,1H3
InChIKeyWDXDYPHPEAOVBQ-UHFFFAOYSA-N
MW143.14 g/mol
LogP0.36
Rot. Bonds2

About 2-methyl-4-nitrosooxolane-3-carbaldehyde

2-methyl-4-nitrosooxolane-3-carbaldehyde (PubChem CID 10240914) has the molecular formula C6H9NO3 and a molecular weight of 143.14 g/mol. Its IUPAC name is 2-methyl-4-nitrosooxolane-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-4-nitrosooxolane-3-carbaldehyde
PubChem CID10240914
Molecular FormulaC6H9NO3
Molecular Weight143.14 g/mol
Exact Mass143.06
IUPAC Name2-methyl-4-nitrosooxolane-3-carbaldehyde
SMILESCC1OCC(N=O)C1C=O
InChIInChI=1S/C6H9NO3/c1-4-5(2-8)6(7-9)3-10-4/h2,4-6H,3H2,1H3
InChIKeyWDXDYPHPEAOVBQ-UHFFFAOYSA-N
XLogP0.36
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.14
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-nitrosooxolane-3-carbaldehyde?
The IUPAC name of 2-methyl-4-nitrosooxolane-3-carbaldehyde (CID 10240914) is 2-methyl-4-nitrosooxolane-3-carbaldehyde.
What is the SMILES notation for 2-methyl-4-nitrosooxolane-3-carbaldehyde?
The canonical SMILES for 2-methyl-4-nitrosooxolane-3-carbaldehyde is CC1OCC(N=O)C1C=O.
What is the InChIKey of 2-methyl-4-nitrosooxolane-3-carbaldehyde?
The InChIKey is WDXDYPHPEAOVBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO3/c1-4-5(2-8)6(7-9)3-10-4/h2,4-6H,3H2,1H3.
What are the key properties of 2-methyl-4-nitrosooxolane-3-carbaldehyde?
2-methyl-4-nitrosooxolane-3-carbaldehyde has a molecular weight of 143.14 g/mol, XLogP of 0.36, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-nitrosooxolane-3-carbaldehyde is sourced from PubChem (CID 10240914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).