(E)-but-2-ene;urea

C5H12N2O — CID 87518989

IUPAC(E)-but-2-ene;urea
SMILESC/C=C/C.NC(N)=O
InChIInChI=1S/C4H8.CH4N2O/c1-3-4-2;2-1(3)4/h3-4H,1-2H3;(H4,2,3,4)/b4-3+;
InChIKeyOQPWLSYAHFZIKT-BJILWQEISA-N
MW116.16 g/mol
LogP0.61
Rot. Bonds

About (E)-but-2-ene;urea

(E)-but-2-ene;urea (PubChem CID 87518989) has the molecular formula C5H12N2O and a molecular weight of 116.16 g/mol. Its IUPAC name is (E)-but-2-ene;urea.

Molecular Properties

Compound Name(E)-but-2-ene;urea
PubChem CID87518989
Molecular FormulaC5H12N2O
Molecular Weight116.16 g/mol
Exact Mass116.09
IUPAC Name(E)-but-2-ene;urea
SMILESC/C=C/C.NC(N)=O
InChIInChI=1S/C4H8.CH4N2O/c1-3-4-2;2-1(3)4/h3-4H,1-2H3;(H4,2,3,4)/b4-3+;
InChIKeyOQPWLSYAHFZIKT-BJILWQEISA-N
XLogP0.61
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
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 (E)-but-2-ene;urea?
The IUPAC name of (E)-but-2-ene;urea (CID 87518989) is (E)-but-2-ene;urea.
What is the SMILES notation for (E)-but-2-ene;urea?
The canonical SMILES for (E)-but-2-ene;urea is C/C=C/C.NC(N)=O.
What is the InChIKey of (E)-but-2-ene;urea?
The InChIKey is OQPWLSYAHFZIKT-BJILWQEISA-N. The full InChI is InChI=1S/C4H8.CH4N2O/c1-3-4-2;2-1(3)4/h3-4H,1-2H3;(H4,2,3,4)/b4-3+;.
What are the key properties of (E)-but-2-ene;urea?
(E)-but-2-ene;urea has a molecular weight of 116.16 g/mol, XLogP of 0.61, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene;urea is sourced from PubChem (CID 87518989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).