2-azaniumyl-2-(2-methylidenecyclopropyl)acetate

C6H9NO2 — CID 25203707

IUPAC2-azaniumyl-2-(2-methylidenecyclopropyl)acetate
SMILESC=C1CC1C([NH3+])C(=O)[O-]
InChIInChI=1S/C6H9NO2/c1-3-2-4(3)5(7)6(8)9/h4-5H,1-2,7H2,(H,8,9)
InChIKeyMPIZVHPMGFWKMJ-UHFFFAOYSA-N
MW127.14 g/mol
LogP-2.08
Rot. Bonds2

About 2-azaniumyl-2-(2-methylidenecyclopropyl)acetate

2-azaniumyl-2-(2-methylidenecyclopropyl)acetate (PubChem CID 25203707) has the molecular formula C6H9NO2 and a molecular weight of 127.14 g/mol. Its IUPAC name is 2-azaniumyl-2-(2-methylidenecyclopropyl)acetate.

Molecular Properties

Compound Name2-azaniumyl-2-(2-methylidenecyclopropyl)acetate
PubChem CID25203707
Molecular FormulaC6H9NO2
Molecular Weight127.14 g/mol
Exact Mass127.06
IUPAC Name2-azaniumyl-2-(2-methylidenecyclopropyl)acetate
SMILESC=C1CC1C([NH3+])C(=O)[O-]
InChIInChI=1S/C6H9NO2/c1-3-2-4(3)5(7)6(8)9/h4-5H,1-2,7H2,(H,8,9)
InChIKeyMPIZVHPMGFWKMJ-UHFFFAOYSA-N
XLogP-2.08
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.14
LogP ≤ 5-2.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-azaniumyl-2-(2-methylidenecyclopropyl)acetate?
The IUPAC name of 2-azaniumyl-2-(2-methylidenecyclopropyl)acetate (CID 25203707) is 2-azaniumyl-2-(2-methylidenecyclopropyl)acetate.
What is the SMILES notation for 2-azaniumyl-2-(2-methylidenecyclopropyl)acetate?
The canonical SMILES for 2-azaniumyl-2-(2-methylidenecyclopropyl)acetate is C=C1CC1C([NH3+])C(=O)[O-].
What is the InChIKey of 2-azaniumyl-2-(2-methylidenecyclopropyl)acetate?
The InChIKey is MPIZVHPMGFWKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO2/c1-3-2-4(3)5(7)6(8)9/h4-5H,1-2,7H2,(H,8,9).
What are the key properties of 2-azaniumyl-2-(2-methylidenecyclopropyl)acetate?
2-azaniumyl-2-(2-methylidenecyclopropyl)acetate has a molecular weight of 127.14 g/mol, XLogP of -2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaniumyl-2-(2-methylidenecyclopropyl)acetate is sourced from PubChem (CID 25203707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).