methyl 2-amino-3-ethenyl-4,5,5-trimethylbicyclo[2.1.0]pentane-2-carboxylate

C12H19NO2 — CID 143722853

IUPACmethyl 2-amino-3-ethenyl-4,5,5-trimethylbicyclo[2.1.0]pentane-2-carboxylate
SMILESC=CC1C(N)(C(=O)OC)C2C(C)(C)C12C
InChIInChI=1S/C12H19NO2/c1-6-7-11(4)8(10(11,2)3)12(7,13)9(14)15-5/h6-8H,1,13H2,2-5H3
InChIKeyYVLKUCJEYAKNFM-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.34
Rot. Bonds2

About methyl 2-amino-3-ethenyl-4,5,5-trimethylbicyclo[2.1.0]pentane-2-carboxylate

methyl 2-amino-3-ethenyl-4,5,5-trimethylbicyclo[2.1.0]pentane-2-carboxylate (PubChem CID 143722853) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is methyl 2-amino-3-ethenyl-4,5,5-trimethylbicyclo[2.1.0]pentane-2-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-3-ethenyl-4,5,5-trimethylbicyclo[2.1.0]pentane-2-carboxylate
PubChem CID143722853
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namemethyl 2-amino-3-ethenyl-4,5,5-trimethylbicyclo[2.1.0]pentane-2-carboxylate
SMILESC=CC1C(N)(C(=O)OC)C2C(C)(C)C12C
InChIInChI=1S/C12H19NO2/c1-6-7-11(4)8(10(11,2)3)12(7,13)9(14)15-5/h6-8H,1,13H2,2-5H3
InChIKeyYVLKUCJEYAKNFM-UHFFFAOYSA-N
XLogP1.34
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 methyl 2-amino-3-ethenyl-4,5,5-trimethylbicyclo[2.1.0]pentane-2-carboxylate?
The IUPAC name of methyl 2-amino-3-ethenyl-4,5,5-trimethylbicyclo[2.1.0]pentane-2-carboxylate (CID 143722853) is methyl 2-amino-3-ethenyl-4,5,5-trimethylbicyclo[2.1.0]pentane-2-carboxylate.
What is the SMILES notation for methyl 2-amino-3-ethenyl-4,5,5-trimethylbicyclo[2.1.0]pentane-2-carboxylate?
The canonical SMILES for methyl 2-amino-3-ethenyl-4,5,5-trimethylbicyclo[2.1.0]pentane-2-carboxylate is C=CC1C(N)(C(=O)OC)C2C(C)(C)C12C.
What is the InChIKey of methyl 2-amino-3-ethenyl-4,5,5-trimethylbicyclo[2.1.0]pentane-2-carboxylate?
The InChIKey is YVLKUCJEYAKNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-6-7-11(4)8(10(11,2)3)12(7,13)9(14)15-5/h6-8H,1,13H2,2-5H3.
What are the key properties of methyl 2-amino-3-ethenyl-4,5,5-trimethylbicyclo[2.1.0]pentane-2-carboxylate?
methyl 2-amino-3-ethenyl-4,5,5-trimethylbicyclo[2.1.0]pentane-2-carboxylate has a molecular weight of 209.29 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-ethenyl-4,5,5-trimethylbicyclo[2.1.0]pentane-2-carboxylate is sourced from PubChem (CID 143722853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).