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

C10H17NO2 — CID 17541

IUPACethyl 2-[bis(prop-2-enyl)amino]acetate
SMILESC=CCN(CC=C)CC(=O)OCC
InChIInChI=1S/C10H17NO2/c1-4-7-11(8-5-2)9-10(12)13-6-3/h4-5H,1-2,6-9H2,3H3
InChIKeyBHJCQZBVCMLMKV-UHFFFAOYSA-N
MW183.25 g/mol
LogP1.22
Rot. Bonds7

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

ethyl 2-[bis(prop-2-enyl)amino]acetate (PubChem CID 17541) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is ethyl 2-[bis(prop-2-enyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[bis(prop-2-enyl)amino]acetate
PubChem CID17541
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Nameethyl 2-[bis(prop-2-enyl)amino]acetate
SMILESC=CCN(CC=C)CC(=O)OCC
InChIInChI=1S/C10H17NO2/c1-4-7-11(8-5-2)9-10(12)13-6-3/h4-5H,1-2,6-9H2,3H3
InChIKeyBHJCQZBVCMLMKV-UHFFFAOYSA-N
XLogP1.22
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.22
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 ethyl 2-[bis(prop-2-enyl)amino]acetate?
The IUPAC name of ethyl 2-[bis(prop-2-enyl)amino]acetate (CID 17541) is ethyl 2-[bis(prop-2-enyl)amino]acetate.
What is the SMILES notation for ethyl 2-[bis(prop-2-enyl)amino]acetate?
The canonical SMILES for ethyl 2-[bis(prop-2-enyl)amino]acetate is C=CCN(CC=C)CC(=O)OCC.
What is the InChIKey of ethyl 2-[bis(prop-2-enyl)amino]acetate?
The InChIKey is BHJCQZBVCMLMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-4-7-11(8-5-2)9-10(12)13-6-3/h4-5H,1-2,6-9H2,3H3.
What are the key properties of ethyl 2-[bis(prop-2-enyl)amino]acetate?
ethyl 2-[bis(prop-2-enyl)amino]acetate has a molecular weight of 183.25 g/mol, XLogP of 1.22, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[bis(prop-2-enyl)amino]acetate is sourced from PubChem (CID 17541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).