but-1-ene;urea

C5H12N2O — CID 87757370

IUPACbut-1-ene;urea
SMILESC=CCC.NC(N)=O
InChIInChI=1S/C4H8.CH4N2O/c1-3-4-2;2-1(3)4/h3H,1,4H2,2H3;(H4,2,3,4)
InChIKeyFXXQVIPPSVOZFL-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.61
Rot. Bonds1

About but-1-ene;urea

but-1-ene;urea (PubChem CID 87757370) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is but-1-ene;urea.

Molecular Properties

Compound Namebut-1-ene;urea
PubChem CID87757370
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Namebut-1-ene;urea
SMILESC=CCC.NC(N)=O
InChIInChI=1S/C4H8.CH4N2O/c1-3-4-2;2-1(3)4/h3H,1,4H2,2H3;(H4,2,3,4)
InChIKeyFXXQVIPPSVOZFL-UHFFFAOYSA-N
XLogP0.61
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 but-1-ene;urea?
The IUPAC name of but-1-ene;urea (CID 87757370) is but-1-ene;urea.
What is the SMILES notation for but-1-ene;urea?
The canonical SMILES for but-1-ene;urea is C=CCC.NC(N)=O.
What is the InChIKey of but-1-ene;urea?
The InChIKey is FXXQVIPPSVOZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.CH4N2O/c1-3-4-2;2-1(3)4/h3H,1,4H2,2H3;(H4,2,3,4).
What are the key properties of but-1-ene;urea?
but-1-ene;urea has a molecular weight of 116.16 g/mol, XLogP of 0.61, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;urea is sourced from PubChem (CID 87757370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).