3-amino-N-methylbut-3-enamide

C5H10N2O — CID 155242589

IUPAC3-amino-N-methylbut-3-enamide
SMILESC=C(N)CC(=O)NC
InChIInChI=1S/C5H10N2O/c1-4(6)3-5(8)7-2/h1,3,6H2,2H3,(H,7,8)
InChIKeyWOKZQLDUNQGCAS-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.41
Rot. Bonds2

About 3-amino-N-methylbut-3-enamide

3-amino-N-methylbut-3-enamide (PubChem CID 155242589) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 3-amino-N-methylbut-3-enamide.

Molecular Properties

Compound Name3-amino-N-methylbut-3-enamide
PubChem CID155242589
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name3-amino-N-methylbut-3-enamide
SMILESC=C(N)CC(=O)NC
InChIInChI=1S/C5H10N2O/c1-4(6)3-5(8)7-2/h1,3,6H2,2H3,(H,7,8)
InChIKeyWOKZQLDUNQGCAS-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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methylbut-3-enamide?
The IUPAC name of 3-amino-N-methylbut-3-enamide (CID 155242589) is 3-amino-N-methylbut-3-enamide.
What is the SMILES notation for 3-amino-N-methylbut-3-enamide?
The canonical SMILES for 3-amino-N-methylbut-3-enamide is C=C(N)CC(=O)NC.
What is the InChIKey of 3-amino-N-methylbut-3-enamide?
The InChIKey is WOKZQLDUNQGCAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4(6)3-5(8)7-2/h1,3,6H2,2H3,(H,7,8).
What are the key properties of 3-amino-N-methylbut-3-enamide?
3-amino-N-methylbut-3-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 3-amino-N-methylbut-3-enamide is sourced from PubChem (CID 155242589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).