6-(aminomethyl)-3-cyclopropyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C9H12N2O2 — CID 82409100

IUPAC6-(aminomethyl)-3-cyclopropyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESNCC1C2C(=O)N(C3CC3)C(=O)C12
InChIInChI=1S/C9H12N2O2/c10-3-5-6-7(5)9(13)11(8(6)12)4-1-2-4/h4-7H,1-3,10H2
InChIKeyWIVBVQWLISMVGY-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.66
Rot. Bonds2

About 6-(aminomethyl)-3-cyclopropyl-3-azabicyclo[3.1.0]hexane-2,4-dione

6-(aminomethyl)-3-cyclopropyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 82409100) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 6-(aminomethyl)-3-cyclopropyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name6-(aminomethyl)-3-cyclopropyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID82409100
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name6-(aminomethyl)-3-cyclopropyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESNCC1C2C(=O)N(C3CC3)C(=O)C12
InChIInChI=1S/C9H12N2O2/c10-3-5-6-7(5)9(13)11(8(6)12)4-1-2-4/h4-7H,1-3,10H2
InChIKeyWIVBVQWLISMVGY-UHFFFAOYSA-N
XLogP-0.66
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-cyclopropyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 6-(aminomethyl)-3-cyclopropyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 82409100) is 6-(aminomethyl)-3-cyclopropyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 6-(aminomethyl)-3-cyclopropyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 6-(aminomethyl)-3-cyclopropyl-3-azabicyclo[3.1.0]hexane-2,4-dione is NCC1C2C(=O)N(C3CC3)C(=O)C12.
What is the InChIKey of 6-(aminomethyl)-3-cyclopropyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is WIVBVQWLISMVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c10-3-5-6-7(5)9(13)11(8(6)12)4-1-2-4/h4-7H,1-3,10H2.
What are the key properties of 6-(aminomethyl)-3-cyclopropyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
6-(aminomethyl)-3-cyclopropyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 180.21 g/mol, XLogP of -0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-cyclopropyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 82409100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).