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

C10H19NO4 — CID 19784585

IUPACN-(hydroxymethyl)prop-2-enamide;bis(propan-2-one)
SMILESC=CC(=O)NCO.CC(C)=O.CC(C)=O
InChIInChI=1S/C4H7NO2.2C3H6O/c1-2-4(7)5-3-6;2*1-3(2)4/h2,6H,1,3H2,(H,5,7);2*1-2H3
InChIKeyHMTNOIMFEZJWFG-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.43
Rot. Bonds2

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

N-(hydroxymethyl)prop-2-enamide;bis(propan-2-one) (PubChem CID 19784585) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is N-(hydroxymethyl)prop-2-enamide;bis(propan-2-one).

Molecular Properties

Compound NameN-(hydroxymethyl)prop-2-enamide;bis(propan-2-one)
PubChem CID19784585
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC NameN-(hydroxymethyl)prop-2-enamide;bis(propan-2-one)
SMILESC=CC(=O)NCO.CC(C)=O.CC(C)=O
InChIInChI=1S/C4H7NO2.2C3H6O/c1-2-4(7)5-3-6;2*1-3(2)4/h2,6H,1,3H2,(H,5,7);2*1-2H3
InChIKeyHMTNOIMFEZJWFG-UHFFFAOYSA-N
XLogP0.43
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(hydroxymethyl)prop-2-enamide;bis(propan-2-one)?
The IUPAC name of N-(hydroxymethyl)prop-2-enamide;bis(propan-2-one) (CID 19784585) is N-(hydroxymethyl)prop-2-enamide;bis(propan-2-one).
What is the SMILES notation for N-(hydroxymethyl)prop-2-enamide;bis(propan-2-one)?
The canonical SMILES for N-(hydroxymethyl)prop-2-enamide;bis(propan-2-one) is C=CC(=O)NCO.CC(C)=O.CC(C)=O.
What is the InChIKey of N-(hydroxymethyl)prop-2-enamide;bis(propan-2-one)?
The InChIKey is HMTNOIMFEZJWFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO2.2C3H6O/c1-2-4(7)5-3-6;2*1-3(2)4/h2,6H,1,3H2,(H,5,7);2*1-2H3.
What are the key properties of N-(hydroxymethyl)prop-2-enamide;bis(propan-2-one)?
N-(hydroxymethyl)prop-2-enamide;bis(propan-2-one) has a molecular weight of 217.26 g/mol, XLogP of 0.43, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(hydroxymethyl)prop-2-enamide;bis(propan-2-one) is sourced from PubChem (CID 19784585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).