2-(dimethylamino)prop-2-enamide

C5H10N2O — CID 18674886

IUPAC2-(dimethylamino)prop-2-enamide
SMILESC=C(C(N)=O)N(C)C
InChIInChI=1S/C5H10N2O/c1-4(5(6)8)7(2)3/h1H2,2-3H3,(H2,6,8)
InChIKeyDUVWEYQMWDHDBY-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.45
Rot. Bonds2

About 2-(dimethylamino)prop-2-enamide

2-(dimethylamino)prop-2-enamide (PubChem CID 18674886) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 2-(dimethylamino)prop-2-enamide.

Molecular Properties

Compound Name2-(dimethylamino)prop-2-enamide
PubChem CID18674886
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name2-(dimethylamino)prop-2-enamide
SMILESC=C(C(N)=O)N(C)C
InChIInChI=1S/C5H10N2O/c1-4(5(6)8)7(2)3/h1H2,2-3H3,(H2,6,8)
InChIKeyDUVWEYQMWDHDBY-UHFFFAOYSA-N
XLogP-0.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
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 2-(dimethylamino)prop-2-enamide?
The IUPAC name of 2-(dimethylamino)prop-2-enamide (CID 18674886) is 2-(dimethylamino)prop-2-enamide.
What is the SMILES notation for 2-(dimethylamino)prop-2-enamide?
The canonical SMILES for 2-(dimethylamino)prop-2-enamide is C=C(C(N)=O)N(C)C.
What is the InChIKey of 2-(dimethylamino)prop-2-enamide?
The InChIKey is DUVWEYQMWDHDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4(5(6)8)7(2)3/h1H2,2-3H3,(H2,6,8).
What are the key properties of 2-(dimethylamino)prop-2-enamide?
2-(dimethylamino)prop-2-enamide has a molecular weight of 114.15 g/mol, XLogP of -0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)prop-2-enamide is sourced from PubChem (CID 18674886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).