2-(prop-2-enylamino)acetamide

C5H10N2O — CID 18474081

IUPAC2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(N)=O
InChIInChI=1S/C5H10N2O/c1-2-3-7-4-5(6)8/h2,7H,1,3-4H2,(H2,6,8)
InChIKeyNMEHIEZLKLETBJ-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.75
Rot. Bonds4

About 2-(prop-2-enylamino)acetamide

2-(prop-2-enylamino)acetamide (PubChem CID 18474081) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 2-(prop-2-enylamino)acetamide.

Molecular Properties

Compound Name2-(prop-2-enylamino)acetamide
PubChem CID18474081
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name2-(prop-2-enylamino)acetamide
SMILESC=CCNCC(N)=O
InChIInChI=1S/C5H10N2O/c1-2-3-7-4-5(6)8/h2,7H,1,3-4H2,(H2,6,8)
InChIKeyNMEHIEZLKLETBJ-UHFFFAOYSA-N
XLogP-0.75
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
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': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylamino)acetamide?
The IUPAC name of 2-(prop-2-enylamino)acetamide (CID 18474081) is 2-(prop-2-enylamino)acetamide.
What is the SMILES notation for 2-(prop-2-enylamino)acetamide?
The canonical SMILES for 2-(prop-2-enylamino)acetamide is C=CCNCC(N)=O.
What is the InChIKey of 2-(prop-2-enylamino)acetamide?
The InChIKey is NMEHIEZLKLETBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-2-3-7-4-5(6)8/h2,7H,1,3-4H2,(H2,6,8).
What are the key properties of 2-(prop-2-enylamino)acetamide?
2-(prop-2-enylamino)acetamide has a molecular weight of 114.15 g/mol, XLogP of -0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylamino)acetamide is sourced from PubChem (CID 18474081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).