but-1-ene;carbamoylurea

C6H13N3O2 — CID 174833277

IUPACbut-1-ene;carbamoylurea
SMILESC=CCC.NC(=O)NC(N)=O
InChIInChI=1S/C4H8.C2H5N3O2/c1-3-4-2;3-1(6)5-2(4)7/h3H,1,4H2,2H3;(H5,3,4,5,6,7)
InChIKeyOAGXHLMCWMODFX-UHFFFAOYSA-N
MW159.19 g/mol
LogP0.32
Rot. Bonds1

About but-1-ene;carbamoylurea

but-1-ene;carbamoylurea (PubChem CID 174833277) has the molecular formula C6H13N3O2 and a molecular weight of 159.19 g/mol. Its IUPAC name is but-1-ene;carbamoylurea.

Molecular Properties

Compound Namebut-1-ene;carbamoylurea
PubChem CID174833277
Molecular FormulaC6H13N3O2
Molecular Weight159.19 g/mol
Exact Mass159.10
IUPAC Namebut-1-ene;carbamoylurea
SMILESC=CCC.NC(=O)NC(N)=O
InChIInChI=1S/C4H8.C2H5N3O2/c1-3-4-2;3-1(6)5-2(4)7/h3H,1,4H2,2H3;(H5,3,4,5,6,7)
InChIKeyOAGXHLMCWMODFX-UHFFFAOYSA-N
XLogP0.32
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 50.32
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 but-1-ene;carbamoylurea?
The IUPAC name of but-1-ene;carbamoylurea (CID 174833277) is but-1-ene;carbamoylurea.
What is the SMILES notation for but-1-ene;carbamoylurea?
The canonical SMILES for but-1-ene;carbamoylurea is C=CCC.NC(=O)NC(N)=O.
What is the InChIKey of but-1-ene;carbamoylurea?
The InChIKey is OAGXHLMCWMODFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8.C2H5N3O2/c1-3-4-2;3-1(6)5-2(4)7/h3H,1,4H2,2H3;(H5,3,4,5,6,7).
What are the key properties of but-1-ene;carbamoylurea?
but-1-ene;carbamoylurea has a molecular weight of 159.19 g/mol, XLogP of 0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-ene;carbamoylurea is sourced from PubChem (CID 174833277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).