N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide

C10H16N2O2 — CID 118586506

IUPACN-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN(CC)C(=O)C=C
InChIInChI=1S/C10H16N2O2/c1-4-9(13)11-7-8-12(6-3)10(14)5-2/h4-5H,1-2,6-8H2,3H3,(H,11,13)
InChIKeyIQBJSIHIWWZKJY-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.32
Rot. Bonds6

About N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide

N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide (PubChem CID 118586506) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
PubChem CID118586506
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC NameN-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCCN(CC)C(=O)C=C
InChIInChI=1S/C10H16N2O2/c1-4-9(13)11-7-8-12(6-3)10(14)5-2/h4-5H,1-2,6-8H2,3H3,(H,11,13)
InChIKeyIQBJSIHIWWZKJY-UHFFFAOYSA-N
XLogP0.32
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide?
The IUPAC name of N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide (CID 118586506) is N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide is C=CC(=O)NCCN(CC)C(=O)C=C.
What is the InChIKey of N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide?
The InChIKey is IQBJSIHIWWZKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-9(13)11-7-8-12(6-3)10(14)5-2/h4-5H,1-2,6-8H2,3H3,(H,11,13).
What are the key properties of N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide?
N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide has a molecular weight of 196.25 g/mol, XLogP of 0.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[ethyl(prop-2-enoyl)amino]ethyl]prop-2-enamide is sourced from PubChem (CID 118586506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).