2-amino-N-ethylprop-2-enamide

C5H10N2O — CID 89205058

IUPAC2-amino-N-ethylprop-2-enamide
SMILESC=C(N)C(=O)NCC
InChIInChI=1S/C5H10N2O/c1-3-7-5(8)4(2)6/h2-3,6H2,1H3,(H,7,8)
InChIKeyZTCJTCBWTMSXFE-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.41
Rot. Bonds2

About 2-amino-N-ethylprop-2-enamide

2-amino-N-ethylprop-2-enamide (PubChem CID 89205058) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 2-amino-N-ethylprop-2-enamide.

Molecular Properties

Compound Name2-amino-N-ethylprop-2-enamide
PubChem CID89205058
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name2-amino-N-ethylprop-2-enamide
SMILESC=C(N)C(=O)NCC
InChIInChI=1S/C5H10N2O/c1-3-7-5(8)4(2)6/h2-3,6H2,1H3,(H,7,8)
InChIKeyZTCJTCBWTMSXFE-UHFFFAOYSA-N
XLogP-0.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
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 2-amino-N-ethylprop-2-enamide?
The IUPAC name of 2-amino-N-ethylprop-2-enamide (CID 89205058) is 2-amino-N-ethylprop-2-enamide.
What is the SMILES notation for 2-amino-N-ethylprop-2-enamide?
The canonical SMILES for 2-amino-N-ethylprop-2-enamide is C=C(N)C(=O)NCC.
What is the InChIKey of 2-amino-N-ethylprop-2-enamide?
The InChIKey is ZTCJTCBWTMSXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-3-7-5(8)4(2)6/h2-3,6H2,1H3,(H,7,8).
What are the key properties of 2-amino-N-ethylprop-2-enamide?
2-amino-N-ethylprop-2-enamide has a molecular weight of 114.15 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-ethylprop-2-enamide is sourced from PubChem (CID 89205058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).