2-(dimethylamino)-N-prop-2-enylprop-2-enamide

C8H14N2O — CID 87499998

IUPAC2-(dimethylamino)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)C(=C)N(C)C
InChIInChI=1S/C8H14N2O/c1-5-6-9-8(11)7(2)10(3)4/h5H,1-2,6H2,3-4H3,(H,9,11)
InChIKeyYMXCGKDOIPOXJI-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.36
Rot. Bonds4

About 2-(dimethylamino)-N-prop-2-enylprop-2-enamide

2-(dimethylamino)-N-prop-2-enylprop-2-enamide (PubChem CID 87499998) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-(dimethylamino)-N-prop-2-enylprop-2-enamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-prop-2-enylprop-2-enamide
PubChem CID87499998
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-(dimethylamino)-N-prop-2-enylprop-2-enamide
SMILESC=CCNC(=O)C(=C)N(C)C
InChIInChI=1S/C8H14N2O/c1-5-6-9-8(11)7(2)10(3)4/h5H,1-2,6H2,3-4H3,(H,9,11)
InChIKeyYMXCGKDOIPOXJI-UHFFFAOYSA-N
XLogP0.36
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-prop-2-enylprop-2-enamide?
The IUPAC name of 2-(dimethylamino)-N-prop-2-enylprop-2-enamide (CID 87499998) is 2-(dimethylamino)-N-prop-2-enylprop-2-enamide.
What is the SMILES notation for 2-(dimethylamino)-N-prop-2-enylprop-2-enamide?
The canonical SMILES for 2-(dimethylamino)-N-prop-2-enylprop-2-enamide is C=CCNC(=O)C(=C)N(C)C.
What is the InChIKey of 2-(dimethylamino)-N-prop-2-enylprop-2-enamide?
The InChIKey is YMXCGKDOIPOXJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-5-6-9-8(11)7(2)10(3)4/h5H,1-2,6H2,3-4H3,(H,9,11).
What are the key properties of 2-(dimethylamino)-N-prop-2-enylprop-2-enamide?
2-(dimethylamino)-N-prop-2-enylprop-2-enamide has a molecular weight of 154.21 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-prop-2-enylprop-2-enamide is sourced from PubChem (CID 87499998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).