but-1-enylurea

C5H10N2O — CID 53406735

IUPACbut-1-enylurea
SMILESCCC=CNC(N)=O
InChIInChI=1S/C5H10N2O/c1-2-3-4-7-5(6)8/h3-4H,2H2,1H3,(H3,6,7,8)
InChIKeyMLSCSZBOBMLELZ-UHFFFAOYSA-N
MW114.15 g/mol
LogP0.58
Rot. Bonds2

About but-1-enylurea

but-1-enylurea (PubChem CID 53406735) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is but-1-enylurea.

Molecular Properties

Compound Namebut-1-enylurea
PubChem CID53406735
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Namebut-1-enylurea
SMILESCCC=CNC(N)=O
InChIInChI=1S/C5H10N2O/c1-2-3-4-7-5(6)8/h3-4H,2H2,1H3,(H3,6,7,8)
InChIKeyMLSCSZBOBMLELZ-UHFFFAOYSA-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
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
[(E)-but-1-enyl]urea
CID 53471596
N-pent-1-enylformamide
CID 53767741
N-but-1-enylformamide
CID 53774055

Frequently Asked Questions

What is the IUPAC name of but-1-enylurea?
The IUPAC name of but-1-enylurea (CID 53406735) is but-1-enylurea.
What is the SMILES notation for but-1-enylurea?
The canonical SMILES for but-1-enylurea is CCC=CNC(N)=O.
What is the InChIKey of but-1-enylurea?
The InChIKey is MLSCSZBOBMLELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-2-3-4-7-5(6)8/h3-4H,2H2,1H3,(H3,6,7,8).
What are the key properties of but-1-enylurea?
but-1-enylurea 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 but-1-enylurea is sourced from PubChem (CID 53406735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).