[(E)-but-1-enyl]urea

C5H10N2O — CID 53471596

IUPAC[(E)-but-1-enyl]urea
SMILESCC/C=C/NC(N)=O
InChIInChI=1S/C5H10N2O/c1-2-3-4-7-5(6)8/h3-4H,2H2,1H3,(H3,6,7,8)/b4-3+
InChIKeyMLSCSZBOBMLELZ-ONEGZZNKSA-N
MW114.15 g/mol
LogP0.58
Rot. Bonds2

About [(E)-but-1-enyl]urea

[(E)-but-1-enyl]urea (PubChem CID 53471596) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is [(E)-but-1-enyl]urea.

Molecular Properties

Compound Name[(E)-but-1-enyl]urea
PubChem CID53471596
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name[(E)-but-1-enyl]urea
SMILESCC/C=C/NC(N)=O
InChIInChI=1S/C5H10N2O/c1-2-3-4-7-5(6)8/h3-4H,2H2,1H3,(H3,6,7,8)/b4-3+
InChIKeyMLSCSZBOBMLELZ-ONEGZZNKSA-N
XLogP0.58
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-dimethyl-3-[(E)-prop-1-enyl]urea
CID 11819097
Carbamoyl-1,4 dihydropyridine
CID 22402669
3-Butenyl-harnstoff
CID 53406735
Propenyl urea
CID 54130800
N,N'-dibutenylurea
CID 129726267
t-Pentenylurea
CID 129726303
3-[(E)-but-1-enyl]-1,1-dimethylurea
CID 10240909
[(Z)-prop-1-enyl]urea
CID 11263474
[(E)-prop-1-enyl]urea
CID 18791946
1,3-dimethyl-1-[(E)-prop-1-enyl]urea
CID 44554794
N-pent-1-enylformamide
CID 53767741
N-but-1-enylformamide
CID 53774055

Frequently Asked Questions

What is the IUPAC name of [(E)-but-1-enyl]urea?
The IUPAC name of [(E)-but-1-enyl]urea (CID 53471596) is [(E)-but-1-enyl]urea.
What is the SMILES notation for [(E)-but-1-enyl]urea?
The canonical SMILES for [(E)-but-1-enyl]urea is CC/C=C/NC(N)=O.
What is the InChIKey of [(E)-but-1-enyl]urea?
The InChIKey is MLSCSZBOBMLELZ-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H10N2O/c1-2-3-4-7-5(6)8/h3-4H,2H2,1H3,(H3,6,7,8)/b4-3+.
What are the key properties of [(E)-but-1-enyl]urea?
[(E)-but-1-enyl]urea has a molecular weight of 114.15 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-but-1-enyl]urea is sourced from PubChem (CID 53471596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).