2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetaldehyde

C7H7NO3 — CID 64835876

IUPAC2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetaldehyde
SMILESO=CCN1C(=O)C2CC2C1=O
InChIInChI=1S/C7H7NO3/c9-2-1-8-6(10)4-3-5(4)7(8)11/h2,4-5H,1,3H2
InChIKeyDSLTWTKBJOAZOQ-UHFFFAOYSA-N
MW153.14 g/mol
LogP-0.81
Rot. Bonds2

About 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetaldehyde

2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetaldehyde (PubChem CID 64835876) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetaldehyde
PubChem CID64835876
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetaldehyde
SMILESO=CCN1C(=O)C2CC2C1=O
InChIInChI=1S/C7H7NO3/c9-2-1-8-6(10)4-3-5(4)7(8)11/h2,4-5H,1,3H2
InChIKeyDSLTWTKBJOAZOQ-UHFFFAOYSA-N
XLogP-0.81
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 5-0.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 23270395
7-(2,4-Dioxo-3-azabicyclo[3.1.0]hexan-3-yl)heptanal
CID 23289990
3-Ethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 68324233
(1S,5R)-3-methyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 142262231
2-(6,6-Dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetaldehyde
CID 64834928
3-(2-Oxopropyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835495
3-(2-Oxobutyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64835877
3-(2,4-Dioxo-3-azabicyclo[3.1.0]hexan-3-yl)propanal
CID 64836243
3-(2-Oxopentyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64836432
3-(3-Methyl-2-oxobutyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 79395116
2-(2-Oxo-3-azabicyclo[3.1.0]hexan-3-yl)acetaldehyde
CID 84020649
3-(2-Oxo-3-azabicyclo[3.1.0]hexan-3-yl)propanal
CID 84032593

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetaldehyde?
The IUPAC name of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetaldehyde (CID 64835876) is 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetaldehyde.
What is the SMILES notation for 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetaldehyde?
The canonical SMILES for 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetaldehyde is O=CCN1C(=O)C2CC2C1=O.
What is the InChIKey of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetaldehyde?
The InChIKey is DSLTWTKBJOAZOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c9-2-1-8-6(10)4-3-5(4)7(8)11/h2,4-5H,1,3H2.
What are the key properties of 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetaldehyde?
2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetaldehyde has a molecular weight of 153.14 g/mol, XLogP of -0.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)acetaldehyde is sourced from PubChem (CID 64835876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).