2-methyl-5-nitrosofuran-3-carbaldehyde

C6H5NO3 — CID 174916217

IUPAC2-methyl-5-nitrosofuran-3-carbaldehyde
SMILESCc1oc(N=O)cc1C=O
InChIInChI=1S/C6H5NO3/c1-4-5(3-8)2-6(7-9)10-4/h2-3H,1H3
InChIKeyYKGRCYRMGZDGCM-UHFFFAOYSA-N
MW139.11 g/mol
LogP1.80
Rot. Bonds2

About 2-methyl-5-nitrosofuran-3-carbaldehyde

2-methyl-5-nitrosofuran-3-carbaldehyde (PubChem CID 174916217) has the molecular formula C6H5NO3 and a molecular weight of 139.11 g/mol. Its IUPAC name is 2-methyl-5-nitrosofuran-3-carbaldehyde.

Molecular Properties

Compound Name2-methyl-5-nitrosofuran-3-carbaldehyde
PubChem CID174916217
Molecular FormulaC6H5NO3
Molecular Weight139.11 g/mol
Exact Mass139.03
IUPAC Name2-methyl-5-nitrosofuran-3-carbaldehyde
SMILESCc1oc(N=O)cc1C=O
InChIInChI=1S/C6H5NO3/c1-4-5(3-8)2-6(7-9)10-4/h2-3H,1H3
InChIKeyYKGRCYRMGZDGCM-UHFFFAOYSA-N
XLogP1.80
TPSA59.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.11
LogP ≤ 51.80
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

2-methyl-5-propylfuran-3-carbaldehyde
CID 150483674
2-methyl-5-phenylfuran-3-carbaldehyde
CID 2795313
5-methylfuran-2,3-dicarbaldehyde
CID 21297715
5-(3-chlorophenyl)-2-methylfuran-3-carbaldehyde
CID 87480512
2-amino-5-methylfuran-3-carbaldehyde
CID 98012890
5-(5-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde
CID 87479880
4,7-dihydroxy-2,3-dimethyl-1-benzofuran-6-carbaldehyde
CID 29731
5-(6-methoxy-3-pyridinyl)-2-methylfuran-3-carbaldehyde
CID 87480245
3,4-dimethyl-2-nitrosobenzaldehyde
CID 54179855
5-bromo-4-chloro-2-methylbenzaldehyde
CID 84796500
2-nitroso-4-prop-1-enylbenzaldehyde
CID 123363024
6-hydroxy-7-methoxy-2,3-dimethyl-1-benzofuran-5-carbaldehyde
CID 82392798

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitrosofuran-3-carbaldehyde?
The IUPAC name of 2-methyl-5-nitrosofuran-3-carbaldehyde (CID 174916217) is 2-methyl-5-nitrosofuran-3-carbaldehyde.
What is the SMILES notation for 2-methyl-5-nitrosofuran-3-carbaldehyde?
The canonical SMILES for 2-methyl-5-nitrosofuran-3-carbaldehyde is Cc1oc(N=O)cc1C=O.
What is the InChIKey of 2-methyl-5-nitrosofuran-3-carbaldehyde?
The InChIKey is YKGRCYRMGZDGCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3/c1-4-5(3-8)2-6(7-9)10-4/h2-3H,1H3.
What are the key properties of 2-methyl-5-nitrosofuran-3-carbaldehyde?
2-methyl-5-nitrosofuran-3-carbaldehyde has a molecular weight of 139.11 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitrosofuran-3-carbaldehyde is sourced from PubChem (CID 174916217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).