pent-4-en-2-ol;urea

C6H14N2O2 — CID 88650571

IUPACpent-4-en-2-ol;urea
SMILESC=CCC(C)O.NC(N)=O
InChIInChI=1S/C5H10O.CH4N2O/c1-3-4-5(2)6;2-1(3)4/h3,5-6H,1,4H2,2H3;(H4,2,3,4)
InChIKeyWAFYHIZSNJEMBG-UHFFFAOYSA-N
MW146.19 g/mol
LogP-0.03
Rot. Bonds2

About pent-4-en-2-ol;urea

pent-4-en-2-ol;urea (PubChem CID 88650571) has the molecular formula C6H14N2O2 and a molecular weight of 146.19 g/mol. Its IUPAC name is pent-4-en-2-ol;urea.

Molecular Properties

Compound Namepent-4-en-2-ol;urea
PubChem CID88650571
Molecular FormulaC6H14N2O2
Molecular Weight146.19 g/mol
Exact Mass146.11
IUPAC Namepent-4-en-2-ol;urea
SMILESC=CCC(C)O.NC(N)=O
InChIInChI=1S/C5H10O.CH4N2O/c1-3-4-5(2)6;2-1(3)4/h3,5-6H,1,4H2,2H3;(H4,2,3,4)
InChIKeyWAFYHIZSNJEMBG-UHFFFAOYSA-N
XLogP-0.03
TPSA89.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pent-4-en-2-ol;urea?
The IUPAC name of pent-4-en-2-ol;urea (CID 88650571) is pent-4-en-2-ol;urea.
What is the SMILES notation for pent-4-en-2-ol;urea?
The canonical SMILES for pent-4-en-2-ol;urea is C=CCC(C)O.NC(N)=O.
What is the InChIKey of pent-4-en-2-ol;urea?
The InChIKey is WAFYHIZSNJEMBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10O.CH4N2O/c1-3-4-5(2)6;2-1(3)4/h3,5-6H,1,4H2,2H3;(H4,2,3,4).
What are the key properties of pent-4-en-2-ol;urea?
pent-4-en-2-ol;urea has a molecular weight of 146.19 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-en-2-ol;urea is sourced from PubChem (CID 88650571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).