methyl 2-[bis(prop-2-enyl)amino]pent-4-enoate

C12H19NO2 — CID 11805939

IUPACmethyl 2-[bis(prop-2-enyl)amino]pent-4-enoate
SMILESC=CCC(C(=O)OC)N(CC=C)CC=C
InChIInChI=1S/C12H19NO2/c1-5-8-11(12(14)15-4)13(9-6-2)10-7-3/h5-7,11H,1-3,8-10H2,4H3
InChIKeyYVWHBYFYIYXLQT-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.78
Rot. Bonds8

About methyl 2-[bis(prop-2-enyl)amino]pent-4-enoate

methyl 2-[bis(prop-2-enyl)amino]pent-4-enoate (PubChem CID 11805939) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is methyl 2-[bis(prop-2-enyl)amino]pent-4-enoate.

Molecular Properties

Compound Namemethyl 2-[bis(prop-2-enyl)amino]pent-4-enoate
PubChem CID11805939
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Namemethyl 2-[bis(prop-2-enyl)amino]pent-4-enoate
SMILESC=CCC(C(=O)OC)N(CC=C)CC=C
InChIInChI=1S/C12H19NO2/c1-5-8-11(12(14)15-4)13(9-6-2)10-7-3/h5-7,11H,1-3,8-10H2,4H3
InChIKeyYVWHBYFYIYXLQT-UHFFFAOYSA-N
XLogP1.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.78
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]pent-4-enoate?
The IUPAC name of methyl 2-[bis(prop-2-enyl)amino]pent-4-enoate (CID 11805939) is methyl 2-[bis(prop-2-enyl)amino]pent-4-enoate.
What is the SMILES notation for methyl 2-[bis(prop-2-enyl)amino]pent-4-enoate?
The canonical SMILES for methyl 2-[bis(prop-2-enyl)amino]pent-4-enoate is C=CCC(C(=O)OC)N(CC=C)CC=C.
What is the InChIKey of methyl 2-[bis(prop-2-enyl)amino]pent-4-enoate?
The InChIKey is YVWHBYFYIYXLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-5-8-11(12(14)15-4)13(9-6-2)10-7-3/h5-7,11H,1-3,8-10H2,4H3.
What are the key properties of methyl 2-[bis(prop-2-enyl)amino]pent-4-enoate?
methyl 2-[bis(prop-2-enyl)amino]pent-4-enoate has a molecular weight of 209.29 g/mol, XLogP of 1.78, 8 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]pent-4-enoate is sourced from PubChem (CID 11805939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).