propanoyl chloride;urea

C4H9ClN2O2 — CID 174974689

IUPACpropanoyl chloride;urea
SMILESCCC(=O)Cl.NC(N)=O
InChIInChI=1S/C3H5ClO.CH4N2O/c1-2-3(4)5;2-1(3)4/h2H2,1H3;(H4,2,3,4)
InChIKeyYTJCXLKVINNMCB-UHFFFAOYSA-N
MW152.58 g/mol
LogP0.19
Rot. Bonds1

About propanoyl chloride;urea

propanoyl chloride;urea (PubChem CID 174974689) has the molecular formula C4H9ClN2O2 and a molecular weight of 152.58 g/mol. Its IUPAC name is propanoyl chloride;urea.

Molecular Properties

Compound Namepropanoyl chloride;urea
PubChem CID174974689
Molecular FormulaC4H9ClN2O2
Molecular Weight152.58 g/mol
Exact Mass152.04
IUPAC Namepropanoyl chloride;urea
SMILESCCC(=O)Cl.NC(N)=O
InChIInChI=1S/C3H5ClO.CH4N2O/c1-2-3(4)5;2-1(3)4/h2H2,1H3;(H4,2,3,4)
InChIKeyYTJCXLKVINNMCB-UHFFFAOYSA-N
XLogP0.19
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.58
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of propanoyl chloride;urea?
The IUPAC name of propanoyl chloride;urea (CID 174974689) is propanoyl chloride;urea.
What is the SMILES notation for propanoyl chloride;urea?
The canonical SMILES for propanoyl chloride;urea is CCC(=O)Cl.NC(N)=O.
What is the InChIKey of propanoyl chloride;urea?
The InChIKey is YTJCXLKVINNMCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H5ClO.CH4N2O/c1-2-3(4)5;2-1(3)4/h2H2,1H3;(H4,2,3,4).
What are the key properties of propanoyl chloride;urea?
propanoyl chloride;urea has a molecular weight of 152.58 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propanoyl chloride;urea is sourced from PubChem (CID 174974689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).