(E)-3-(methylamino)prop-2-enamide

C4H8N2O — CID 11182577

IUPAC(E)-3-(methylamino)prop-2-enamide
SMILESCN/C=C/C(N)=O
InChIInChI=1S/C4H8N2O/c1-6-3-2-4(5)7/h2-3,6H,1H3,(H2,5,7)/b3-2+
InChIKeyBEJQXFIGDHSEMT-NSCUHMNNSA-N
MW100.12 g/mol
LogP-0.80
Rot. Bonds2

About (E)-3-(methylamino)prop-2-enamide

(E)-3-(methylamino)prop-2-enamide (PubChem CID 11182577) has the molecular formula C4H8N2O and a molecular weight of 100.12 g/mol. Its IUPAC name is (E)-3-(methylamino)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(methylamino)prop-2-enamide
PubChem CID11182577
Molecular FormulaC4H8N2O
Molecular Weight100.12 g/mol
Exact Mass100.06
IUPAC Name(E)-3-(methylamino)prop-2-enamide
SMILESCN/C=C/C(N)=O
InChIInChI=1S/C4H8N2O/c1-6-3-2-4(5)7/h2-3,6H,1H3,(H2,5,7)/b3-2+
InChIKeyBEJQXFIGDHSEMT-NSCUHMNNSA-N
XLogP-0.80
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500100.12
LogP ≤ 5-0.80
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 (E)-3-(methylamino)prop-2-enamide?
The IUPAC name of (E)-3-(methylamino)prop-2-enamide (CID 11182577) is (E)-3-(methylamino)prop-2-enamide.
What is the SMILES notation for (E)-3-(methylamino)prop-2-enamide?
The canonical SMILES for (E)-3-(methylamino)prop-2-enamide is CN/C=C/C(N)=O.
What is the InChIKey of (E)-3-(methylamino)prop-2-enamide?
The InChIKey is BEJQXFIGDHSEMT-NSCUHMNNSA-N. The full InChI is InChI=1S/C4H8N2O/c1-6-3-2-4(5)7/h2-3,6H,1H3,(H2,5,7)/b3-2+.
What are the key properties of (E)-3-(methylamino)prop-2-enamide?
(E)-3-(methylamino)prop-2-enamide has a molecular weight of 100.12 g/mol, XLogP of -0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(methylamino)prop-2-enamide is sourced from PubChem (CID 11182577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).