3-methyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde

C7H11NO — CID 156736339

IUPAC3-methyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
SMILESCN1CC2CC2C1C=O
InChIInChI=1S/C7H11NO/c1-8-3-5-2-6(5)7(8)4-9/h4-7H,2-3H2,1H3
InChIKeyIFHCGXGWHYMJAC-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.14
Rot. Bonds1

About 3-methyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde

3-methyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde (PubChem CID 156736339) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 3-methyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde.

Molecular Properties

Compound Name3-methyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
PubChem CID156736339
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name3-methyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde
SMILESCN1CC2CC2C1C=O
InChIInChI=1S/C7H11NO/c1-8-3-5-2-6(5)7(8)4-9/h4-7H,2-3H2,1H3
InChIKeyIFHCGXGWHYMJAC-UHFFFAOYSA-N
XLogP0.14
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde?
The IUPAC name of 3-methyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde (CID 156736339) is 3-methyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde.
What is the SMILES notation for 3-methyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde?
The canonical SMILES for 3-methyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde is CN1CC2CC2C1C=O.
What is the InChIKey of 3-methyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde?
The InChIKey is IFHCGXGWHYMJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-8-3-5-2-6(5)7(8)4-9/h4-7H,2-3H2,1H3.
What are the key properties of 3-methyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde?
3-methyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde has a molecular weight of 125.17 g/mol, XLogP of 0.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-azabicyclo[3.1.0]hexane-2-carbaldehyde is sourced from PubChem (CID 156736339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).