methyl 2-[bis(prop-2-enyl)amino]acetate

C9H15NO2 — CID 11309757

IUPACmethyl 2-[bis(prop-2-enyl)amino]acetate
SMILESC=CCN(CC=C)CC(=O)OC
InChIInChI=1S/C9H15NO2/c1-4-6-10(7-5-2)8-9(11)12-3/h4-5H,1-2,6-8H2,3H3
InChIKeyTVBZPRWGMSZXGY-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.83
Rot. Bonds6

About methyl 2-[bis(prop-2-enyl)amino]acetate

methyl 2-[bis(prop-2-enyl)amino]acetate (PubChem CID 11309757) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is methyl 2-[bis(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[bis(prop-2-enyl)amino]acetate
PubChem CID11309757
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namemethyl 2-[bis(prop-2-enyl)amino]acetate
SMILESC=CCN(CC=C)CC(=O)OC
InChIInChI=1S/C9H15NO2/c1-4-6-10(7-5-2)8-9(11)12-3/h4-5H,1-2,6-8H2,3H3
InChIKeyTVBZPRWGMSZXGY-UHFFFAOYSA-N
XLogP0.83
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.83
H-Bond Donors ≤ 50
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-[bis(prop-2-enyl)amino]acetate?
The IUPAC name of methyl 2-[bis(prop-2-enyl)amino]acetate (CID 11309757) is methyl 2-[bis(prop-2-enyl)amino]acetate.
What is the SMILES notation for methyl 2-[bis(prop-2-enyl)amino]acetate?
The canonical SMILES for methyl 2-[bis(prop-2-enyl)amino]acetate is C=CCN(CC=C)CC(=O)OC.
What is the InChIKey of methyl 2-[bis(prop-2-enyl)amino]acetate?
The InChIKey is TVBZPRWGMSZXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-4-6-10(7-5-2)8-9(11)12-3/h4-5H,1-2,6-8H2,3H3.
What are the key properties of methyl 2-[bis(prop-2-enyl)amino]acetate?
methyl 2-[bis(prop-2-enyl)amino]acetate has a molecular weight of 169.22 g/mol, XLogP of 0.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[bis(prop-2-enyl)amino]acetate is sourced from PubChem (CID 11309757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).