2-amino-N-prop-2-enylacetamide

C5H10N2O — CID 18446443

IUPAC2-amino-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN
InChIInChI=1S/C5H10N2O/c1-2-3-7-5(8)4-6/h2H,1,3-4,6H2,(H,7,8)
InChIKeyJDQBJMHNGNZBIO-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.75
Rot. Bonds3

About 2-amino-N-prop-2-enylacetamide

2-amino-N-prop-2-enylacetamide (PubChem CID 18446443) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 2-amino-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-amino-N-prop-2-enylacetamide
PubChem CID18446443
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name2-amino-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN
InChIInChI=1S/C5H10N2O/c1-2-3-7-5(8)4-6/h2H,1,3-4,6H2,(H,7,8)
InChIKeyJDQBJMHNGNZBIO-UHFFFAOYSA-N
XLogP-0.75
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 ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-prop-2-enylacetamide?
The IUPAC name of 2-amino-N-prop-2-enylacetamide (CID 18446443) is 2-amino-N-prop-2-enylacetamide.
What is the SMILES notation for 2-amino-N-prop-2-enylacetamide?
The canonical SMILES for 2-amino-N-prop-2-enylacetamide is C=CCNC(=O)CN.
What is the InChIKey of 2-amino-N-prop-2-enylacetamide?
The InChIKey is JDQBJMHNGNZBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-2-3-7-5(8)4-6/h2H,1,3-4,6H2,(H,7,8).
What are the key properties of 2-amino-N-prop-2-enylacetamide?
2-amino-N-prop-2-enylacetamide has a molecular weight of 114.15 g/mol, XLogP of -0.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-prop-2-enylacetamide is sourced from PubChem (CID 18446443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).