2-[(dimethylamino)methyl]prop-2-enamide;2-methylprop-2-enamide

C10H19N3O2 — CID 18005905

IUPAC2-[(dimethylamino)methyl]prop-2-enamide;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.C=C(CN(C)C)C(N)=O
InChIInChI=1S/C6H12N2O.C4H7NO/c1-5(6(7)9)4-8(2)3;1-3(2)4(5)6/h1,4H2,2-3H3,(H2,7,9);1H2,2H3,(H2,5,6)
InChIKeyBUYQQTMKMNVARY-UHFFFAOYSA-N
MW213.28 g/mol
LogP-0.36
Rot. Bonds4

About 2-[(dimethylamino)methyl]prop-2-enamide;2-methylprop-2-enamide

2-[(dimethylamino)methyl]prop-2-enamide;2-methylprop-2-enamide (PubChem CID 18005905) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]prop-2-enamide;2-methylprop-2-enamide.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]prop-2-enamide;2-methylprop-2-enamide
PubChem CID18005905
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name2-[(dimethylamino)methyl]prop-2-enamide;2-methylprop-2-enamide
SMILESC=C(C)C(N)=O.C=C(CN(C)C)C(N)=O
InChIInChI=1S/C6H12N2O.C4H7NO/c1-5(6(7)9)4-8(2)3;1-3(2)4(5)6/h1,4H2,2-3H3,(H2,7,9);1H2,2H3,(H2,5,6)
InChIKeyBUYQQTMKMNVARY-UHFFFAOYSA-N
XLogP-0.36
TPSA89.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 5-0.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)methyl]prop-2-enamide;2-methylprop-2-enamide?
The IUPAC name of 2-[(dimethylamino)methyl]prop-2-enamide;2-methylprop-2-enamide (CID 18005905) is 2-[(dimethylamino)methyl]prop-2-enamide;2-methylprop-2-enamide.
What is the SMILES notation for 2-[(dimethylamino)methyl]prop-2-enamide;2-methylprop-2-enamide?
The canonical SMILES for 2-[(dimethylamino)methyl]prop-2-enamide;2-methylprop-2-enamide is C=C(C)C(N)=O.C=C(CN(C)C)C(N)=O.
What is the InChIKey of 2-[(dimethylamino)methyl]prop-2-enamide;2-methylprop-2-enamide?
The InChIKey is BUYQQTMKMNVARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O.C4H7NO/c1-5(6(7)9)4-8(2)3;1-3(2)4(5)6/h1,4H2,2-3H3,(H2,7,9);1H2,2H3,(H2,5,6).
What are the key properties of 2-[(dimethylamino)methyl]prop-2-enamide;2-methylprop-2-enamide?
2-[(dimethylamino)methyl]prop-2-enamide;2-methylprop-2-enamide has a molecular weight of 213.28 g/mol, XLogP of -0.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]prop-2-enamide;2-methylprop-2-enamide is sourced from PubChem (CID 18005905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).