but-2-en-2-ol;urea

C5H12N2O2 — CID 173334764

IUPACbut-2-en-2-ol;urea
SMILESCC=C(C)O.NC(N)=O
InChIInChI=1S/C4H8O.CH4N2O/c1-3-4(2)5;2-1(3)4/h3,5H,1-2H3;(H4,2,3,4)
InChIKeyNNFRTNRRGCLFPO-UHFFFAOYSA-N
MW132.16 g/mol
LogP0.49
Rot. Bonds

About but-2-en-2-ol;urea

but-2-en-2-ol;urea (PubChem CID 173334764) has the molecular formula C5H12N2O2 and a molecular weight of 132.16 g/mol. Its IUPAC name is but-2-en-2-ol;urea.

Molecular Properties

Compound Namebut-2-en-2-ol;urea
PubChem CID173334764
Molecular FormulaC5H12N2O2
Molecular Weight132.16 g/mol
Exact Mass132.09
IUPAC Namebut-2-en-2-ol;urea
SMILESCC=C(C)O.NC(N)=O
InChIInChI=1S/C4H8O.CH4N2O/c1-3-4(2)5;2-1(3)4/h3,5H,1-2H3;(H4,2,3,4)
InChIKeyNNFRTNRRGCLFPO-UHFFFAOYSA-N
XLogP0.49
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.16
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of but-2-en-2-ol;urea?
The IUPAC name of but-2-en-2-ol;urea (CID 173334764) is but-2-en-2-ol;urea.
What is the SMILES notation for but-2-en-2-ol;urea?
The canonical SMILES for but-2-en-2-ol;urea is CC=C(C)O.NC(N)=O.
What is the InChIKey of but-2-en-2-ol;urea?
The InChIKey is NNFRTNRRGCLFPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8O.CH4N2O/c1-3-4(2)5;2-1(3)4/h3,5H,1-2H3;(H4,2,3,4).
What are the key properties of but-2-en-2-ol;urea?
but-2-en-2-ol;urea has a molecular weight of 132.16 g/mol, XLogP of 0.49, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-2-en-2-ol;urea is sourced from PubChem (CID 173334764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).