methyl 2-ethenyl-1-(methylamino)cyclopropane-1-carboxylate

C8H13NO2 — CID 20711980

IUPACmethyl 2-ethenyl-1-(methylamino)cyclopropane-1-carboxylate
SMILESC=CC1CC1(NC)C(=O)OC
InChIInChI=1S/C8H13NO2/c1-4-6-5-8(6,9-2)7(10)11-3/h4,6,9H,1,5H2,2-3H3
InChIKeyQHVMDIHTGXIOKA-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.32
Rot. Bonds3

About methyl 2-ethenyl-1-(methylamino)cyclopropane-1-carboxylate

methyl 2-ethenyl-1-(methylamino)cyclopropane-1-carboxylate (PubChem CID 20711980) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is methyl 2-ethenyl-1-(methylamino)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-ethenyl-1-(methylamino)cyclopropane-1-carboxylate
PubChem CID20711980
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Namemethyl 2-ethenyl-1-(methylamino)cyclopropane-1-carboxylate
SMILESC=CC1CC1(NC)C(=O)OC
InChIInChI=1S/C8H13NO2/c1-4-6-5-8(6,9-2)7(10)11-3/h4,6,9H,1,5H2,2-3H3
InChIKeyQHVMDIHTGXIOKA-UHFFFAOYSA-N
XLogP0.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.32
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-ethenyl-1-(methylamino)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-ethenyl-1-(methylamino)cyclopropane-1-carboxylate (CID 20711980) is methyl 2-ethenyl-1-(methylamino)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-ethenyl-1-(methylamino)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-ethenyl-1-(methylamino)cyclopropane-1-carboxylate is C=CC1CC1(NC)C(=O)OC.
What is the InChIKey of methyl 2-ethenyl-1-(methylamino)cyclopropane-1-carboxylate?
The InChIKey is QHVMDIHTGXIOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c1-4-6-5-8(6,9-2)7(10)11-3/h4,6,9H,1,5H2,2-3H3.
What are the key properties of methyl 2-ethenyl-1-(methylamino)cyclopropane-1-carboxylate?
methyl 2-ethenyl-1-(methylamino)cyclopropane-1-carboxylate has a molecular weight of 155.20 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-ethenyl-1-(methylamino)cyclopropane-1-carboxylate is sourced from PubChem (CID 20711980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).