3-(ethylamino)prop-2-enamide

C5H10N2O — CID 154070095

IUPAC3-(ethylamino)prop-2-enamide
SMILESCCNC=CC(N)=O
InChIInChI=1S/C5H10N2O/c1-2-7-4-3-5(6)8/h3-4,7H,2H2,1H3,(H2,6,8)
InChIKeyQMMANBGCWPEMEB-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.41
Rot. Bonds3

About 3-(ethylamino)prop-2-enamide

3-(ethylamino)prop-2-enamide (PubChem CID 154070095) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 3-(ethylamino)prop-2-enamide.

Molecular Properties

Compound Name3-(ethylamino)prop-2-enamide
PubChem CID154070095
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name3-(ethylamino)prop-2-enamide
SMILESCCNC=CC(N)=O
InChIInChI=1S/C5H10N2O/c1-2-7-4-3-5(6)8/h3-4,7H,2H2,1H3,(H2,6,8)
InChIKeyQMMANBGCWPEMEB-UHFFFAOYSA-N
XLogP-0.41
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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 3-(ethylamino)prop-2-enamide?
The IUPAC name of 3-(ethylamino)prop-2-enamide (CID 154070095) is 3-(ethylamino)prop-2-enamide.
What is the SMILES notation for 3-(ethylamino)prop-2-enamide?
The canonical SMILES for 3-(ethylamino)prop-2-enamide is CCNC=CC(N)=O.
What is the InChIKey of 3-(ethylamino)prop-2-enamide?
The InChIKey is QMMANBGCWPEMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-2-7-4-3-5(6)8/h3-4,7H,2H2,1H3,(H2,6,8).
What are the key properties of 3-(ethylamino)prop-2-enamide?
3-(ethylamino)prop-2-enamide has a molecular weight of 114.15 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)prop-2-enamide is sourced from PubChem (CID 154070095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).