dimethylamino cyclopropanecarboxylate

C6H11NO2 — CID 87328371

IUPACdimethylamino cyclopropanecarboxylate
SMILESCN(C)OC(=O)C1CC1
InChIInChI=1S/C6H11NO2/c1-7(2)9-6(8)5-3-4-5/h5H,3-4H2,1-2H3
InChIKeyVVYYWMAQODNRII-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.42
Rot. Bonds2

About dimethylamino cyclopropanecarboxylate

dimethylamino cyclopropanecarboxylate (PubChem CID 87328371) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is dimethylamino cyclopropanecarboxylate.

Molecular Properties

Compound Namedimethylamino cyclopropanecarboxylate
PubChem CID87328371
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namedimethylamino cyclopropanecarboxylate
SMILESCN(C)OC(=O)C1CC1
InChIInChI=1S/C6H11NO2/c1-7(2)9-6(8)5-3-4-5/h5H,3-4H2,1-2H3
InChIKeyVVYYWMAQODNRII-UHFFFAOYSA-N
XLogP0.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethylamino cyclopropanecarboxylate?
The IUPAC name of dimethylamino cyclopropanecarboxylate (CID 87328371) is dimethylamino cyclopropanecarboxylate.
What is the SMILES notation for dimethylamino cyclopropanecarboxylate?
The canonical SMILES for dimethylamino cyclopropanecarboxylate is CN(C)OC(=O)C1CC1.
What is the InChIKey of dimethylamino cyclopropanecarboxylate?
The InChIKey is VVYYWMAQODNRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-7(2)9-6(8)5-3-4-5/h5H,3-4H2,1-2H3.
What are the key properties of dimethylamino cyclopropanecarboxylate?
dimethylamino cyclopropanecarboxylate has a molecular weight of 129.16 g/mol, XLogP of 0.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dimethylamino cyclopropanecarboxylate is sourced from PubChem (CID 87328371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).