2-[[bis(prop-2-enyl)amino]methyl]-N-prop-2-enylprop-2-enamide

C13H20N2O — CID 87074722

IUPAC2-[[bis(prop-2-enyl)amino]methyl]-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)C(=C)CN(CC=C)CC=C
InChIInChI=1S/C13H20N2O/c1-5-8-14-13(16)12(4)11-15(9-6-2)10-7-3/h5-7H,1-4,8-11H2,(H,14,16)
InChIKeyDGFURYMRRZDDDM-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.52
Rot. Bonds9

About 2-[[bis(prop-2-enyl)amino]methyl]-N-prop-2-enylprop-2-enamide

2-[[bis(prop-2-enyl)amino]methyl]-N-prop-2-enylprop-2-enamide (PubChem CID 87074722) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-[[bis(prop-2-enyl)amino]methyl]-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name2-[[bis(prop-2-enyl)amino]methyl]-N-prop-2-enylprop-2-enamide
PubChem CID87074722
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-[[bis(prop-2-enyl)amino]methyl]-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)C(=C)CN(CC=C)CC=C
InChIInChI=1S/C13H20N2O/c1-5-8-14-13(16)12(4)11-15(9-6-2)10-7-3/h5-7H,1-4,8-11H2,(H,14,16)
InChIKeyDGFURYMRRZDDDM-UHFFFAOYSA-N
XLogP1.52
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-N-prop-2-enylprop-2-enamide?
The IUPAC name of 2-[[bis(prop-2-enyl)amino]methyl]-N-prop-2-enylprop-2-enamide (CID 87074722) is 2-[[bis(prop-2-enyl)amino]methyl]-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for 2-[[bis(prop-2-enyl)amino]methyl]-N-prop-2-enylprop-2-enamide?
The canonical SMILES for 2-[[bis(prop-2-enyl)amino]methyl]-N-prop-2-enylprop-2-enamide is C=CCNC(=O)C(=C)CN(CC=C)CC=C.
What is the InChIKey of 2-[[bis(prop-2-enyl)amino]methyl]-N-prop-2-enylprop-2-enamide?
The InChIKey is DGFURYMRRZDDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-5-8-14-13(16)12(4)11-15(9-6-2)10-7-3/h5-7H,1-4,8-11H2,(H,14,16).
What are the key properties of 2-[[bis(prop-2-enyl)amino]methyl]-N-prop-2-enylprop-2-enamide?
2-[[bis(prop-2-enyl)amino]methyl]-N-prop-2-enylprop-2-enamide has a molecular weight of 220.32 g/mol, XLogP of 1.52, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[bis(prop-2-enyl)amino]methyl]-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 87074722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).