2-methylidenebut-3-enylurea

C6H10N2O — CID 88982925

IUPAC2-methylidenebut-3-enylurea
SMILESC=CC(=C)CNC(N)=O
InChIInChI=1S/C6H10N2O/c1-3-5(2)4-8-6(7)9/h3H,1-2,4H2,(H3,7,8,9)
InChIKeyLDIFASGLGPGCBY-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.40
Rot. Bonds3

About 2-methylidenebut-3-enylurea

2-methylidenebut-3-enylurea (PubChem CID 88982925) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2-methylidenebut-3-enylurea.

Molecular Properties

Compound Name2-methylidenebut-3-enylurea
PubChem CID88982925
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2-methylidenebut-3-enylurea
SMILESC=CC(=C)CNC(N)=O
InChIInChI=1S/C6H10N2O/c1-3-5(2)4-8-6(7)9/h3H,1-2,4H2,(H3,7,8,9)
InChIKeyLDIFASGLGPGCBY-UHFFFAOYSA-N
XLogP0.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylidenebut-3-enylurea?
The IUPAC name of 2-methylidenebut-3-enylurea (CID 88982925) is 2-methylidenebut-3-enylurea.
What is the SMILES notation for 2-methylidenebut-3-enylurea?
The canonical SMILES for 2-methylidenebut-3-enylurea is C=CC(=C)CNC(N)=O.
What is the InChIKey of 2-methylidenebut-3-enylurea?
The InChIKey is LDIFASGLGPGCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-3-5(2)4-8-6(7)9/h3H,1-2,4H2,(H3,7,8,9).
What are the key properties of 2-methylidenebut-3-enylurea?
2-methylidenebut-3-enylurea has a molecular weight of 126.16 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenebut-3-enylurea is sourced from PubChem (CID 88982925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).