2-(hydroxymethyl)prop-2-enamide;bis(propan-2-one);prop-2-enamide

C13H24N2O5 — CID 18690297

IUPAC2-(hydroxymethyl)prop-2-enamide;bis(propan-2-one);prop-2-enamide
SMILESC=C(CO)C(N)=O.C=CC(N)=O.CC(C)=O.CC(C)=O
InChIInChI=1S/C4H7NO2.C3H5NO.2C3H6O/c1-3(2-6)4(5)7;1-2-3(4)5;2*1-3(2)4/h6H,1-2H2,(H2,5,7);2H,1H2,(H2,4,5);2*1-2H3
InChIKeyLQBNNDHZLYKCMF-UHFFFAOYSA-N
MW288.34 g/mol
LogP-0.13
Rot. Bonds3

About 2-(hydroxymethyl)prop-2-enamide;bis(propan-2-one);prop-2-enamide

2-(hydroxymethyl)prop-2-enamide;bis(propan-2-one);prop-2-enamide (PubChem CID 18690297) has the molecular formula C13H24N2O5 and a molecular weight of 288.34 g/mol. Its IUPAC name is 2-(hydroxymethyl)prop-2-enamide;bis(propan-2-one);prop-2-enamide.

Molecular Properties

Compound Name2-(hydroxymethyl)prop-2-enamide;bis(propan-2-one);prop-2-enamide
PubChem CID18690297
Molecular FormulaC13H24N2O5
Molecular Weight288.34 g/mol
Exact Mass288.17
IUPAC Name2-(hydroxymethyl)prop-2-enamide;bis(propan-2-one);prop-2-enamide
SMILESC=C(CO)C(N)=O.C=CC(N)=O.CC(C)=O.CC(C)=O
InChIInChI=1S/C4H7NO2.C3H5NO.2C3H6O/c1-3(2-6)4(5)7;1-2-3(4)5;2*1-3(2)4/h6H,1-2H2,(H2,5,7);2H,1H2,(H2,4,5);2*1-2H3
InChIKeyLQBNNDHZLYKCMF-UHFFFAOYSA-N
XLogP-0.13
TPSA140.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 5-0.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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-(hydroxymethyl)prop-2-enamide;bis(propan-2-one);prop-2-enamide?
The IUPAC name of 2-(hydroxymethyl)prop-2-enamide;bis(propan-2-one);prop-2-enamide (CID 18690297) is 2-(hydroxymethyl)prop-2-enamide;bis(propan-2-one);prop-2-enamide.
What is the SMILES notation for 2-(hydroxymethyl)prop-2-enamide;bis(propan-2-one);prop-2-enamide?
The canonical SMILES for 2-(hydroxymethyl)prop-2-enamide;bis(propan-2-one);prop-2-enamide is C=C(CO)C(N)=O.C=CC(N)=O.CC(C)=O.CC(C)=O.
What is the InChIKey of 2-(hydroxymethyl)prop-2-enamide;bis(propan-2-one);prop-2-enamide?
The InChIKey is LQBNNDHZLYKCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.C3H5NO.2C3H6O/c1-3(2-6)4(5)7;1-2-3(4)5;2*1-3(2)4/h6H,1-2H2,(H2,5,7);2H,1H2,(H2,4,5);2*1-2H3.
What are the key properties of 2-(hydroxymethyl)prop-2-enamide;bis(propan-2-one);prop-2-enamide?
2-(hydroxymethyl)prop-2-enamide;bis(propan-2-one);prop-2-enamide has a molecular weight of 288.34 g/mol, XLogP of -0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)prop-2-enamide;bis(propan-2-one);prop-2-enamide is sourced from PubChem (CID 18690297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).