3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

C10H14N2O2 — CID 63762501

IUPAC3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESNC(CN1C(=O)C2CC2C1=O)C1CC1
InChIInChI=1S/C10H14N2O2/c11-8(5-1-2-5)4-12-9(13)6-3-7(6)10(12)14/h5-8H,1-4,11H2
InChIKeyKJMNLOBDHVEYLP-UHFFFAOYSA-N
MW194.23 g/mol
LogP-0.27
Rot. Bonds3

About 3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione

3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 63762501) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID63762501
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESNC(CN1C(=O)C2CC2C1=O)C1CC1
InChIInChI=1S/C10H14N2O2/c11-8(5-1-2-5)4-12-9(13)6-3-7(6)10(12)14/h5-8H,1-4,11H2
InChIKeyKJMNLOBDHVEYLP-UHFFFAOYSA-N
XLogP-0.27
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 5-0.27
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 3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 63762501) is 3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is NC(CN1C(=O)C2CC2C1=O)C1CC1.
What is the InChIKey of 3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is KJMNLOBDHVEYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c11-8(5-1-2-5)4-12-9(13)6-3-7(6)10(12)14/h5-8H,1-4,11H2.
What are the key properties of 3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 194.23 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-cyclopropylethyl)-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 63762501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).