N-(acetamidomethyl)prop-2-enamide

C6H10N2O2 — CID 18317092

IUPACN-(acetamidomethyl)prop-2-enamide
SMILESC=CC(=O)NCNC(C)=O
InChIInChI=1S/C6H10N2O2/c1-3-6(10)8-4-7-5(2)9/h3H,1,4H2,2H3,(H,7,9)(H,8,10)
InChIKeyLJEGDZGGHRBYNZ-UHFFFAOYSA-N
MW142.16 g/mol
LogP-0.62
Rot. Bonds3

About N-(acetamidomethyl)prop-2-enamide

N-(acetamidomethyl)prop-2-enamide (PubChem CID 18317092) has the molecular formula C6H10N2O2 and a molecular weight of 142.16 g/mol. Its IUPAC name is N-(acetamidomethyl)prop-2-enamide.

Molecular Properties

Compound NameN-(acetamidomethyl)prop-2-enamide
PubChem CID18317092
Molecular FormulaC6H10N2O2
Molecular Weight142.16 g/mol
Exact Mass142.07
IUPAC NameN-(acetamidomethyl)prop-2-enamide
SMILESC=CC(=O)NCNC(C)=O
InChIInChI=1S/C6H10N2O2/c1-3-6(10)8-4-7-5(2)9/h3H,1,4H2,2H3,(H,7,9)(H,8,10)
InChIKeyLJEGDZGGHRBYNZ-UHFFFAOYSA-N
XLogP-0.62
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.16
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(acetamidomethyl)prop-2-enamide?
The IUPAC name of N-(acetamidomethyl)prop-2-enamide (CID 18317092) is N-(acetamidomethyl)prop-2-enamide.
What is the SMILES notation for N-(acetamidomethyl)prop-2-enamide?
The canonical SMILES for N-(acetamidomethyl)prop-2-enamide is C=CC(=O)NCNC(C)=O.
What is the InChIKey of N-(acetamidomethyl)prop-2-enamide?
The InChIKey is LJEGDZGGHRBYNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2/c1-3-6(10)8-4-7-5(2)9/h3H,1,4H2,2H3,(H,7,9)(H,8,10).
What are the key properties of N-(acetamidomethyl)prop-2-enamide?
N-(acetamidomethyl)prop-2-enamide has a molecular weight of 142.16 g/mol, XLogP of -0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(acetamidomethyl)prop-2-enamide is sourced from PubChem (CID 18317092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).