1-methyl-3-(2-methylidenebut-3-enyl)urea

C7H12N2O — CID 90221782

IUPAC1-methyl-3-(2-methylidenebut-3-enyl)urea
SMILESC=CC(=C)CNC(=O)NC
InChIInChI=1S/C7H12N2O/c1-4-6(2)5-9-7(10)8-3/h4H,1-2,5H2,3H3,(H2,8,9,10)
InChIKeyZWYJYXMZABNALK-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.66
Rot. Bonds3

About 1-methyl-3-(2-methylidenebut-3-enyl)urea

1-methyl-3-(2-methylidenebut-3-enyl)urea (PubChem CID 90221782) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 1-methyl-3-(2-methylidenebut-3-enyl)urea.

Molecular Properties

Compound Name1-methyl-3-(2-methylidenebut-3-enyl)urea
PubChem CID90221782
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name1-methyl-3-(2-methylidenebut-3-enyl)urea
SMILESC=CC(=C)CNC(=O)NC
InChIInChI=1S/C7H12N2O/c1-4-6(2)5-9-7(10)8-3/h4H,1-2,5H2,3H3,(H2,8,9,10)
InChIKeyZWYJYXMZABNALK-UHFFFAOYSA-N
XLogP0.66
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.66
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 1-methyl-3-(2-methylidenebut-3-enyl)urea?
The IUPAC name of 1-methyl-3-(2-methylidenebut-3-enyl)urea (CID 90221782) is 1-methyl-3-(2-methylidenebut-3-enyl)urea.
What is the SMILES notation for 1-methyl-3-(2-methylidenebut-3-enyl)urea?
The canonical SMILES for 1-methyl-3-(2-methylidenebut-3-enyl)urea is C=CC(=C)CNC(=O)NC.
What is the InChIKey of 1-methyl-3-(2-methylidenebut-3-enyl)urea?
The InChIKey is ZWYJYXMZABNALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-4-6(2)5-9-7(10)8-3/h4H,1-2,5H2,3H3,(H2,8,9,10).
What are the key properties of 1-methyl-3-(2-methylidenebut-3-enyl)urea?
1-methyl-3-(2-methylidenebut-3-enyl)urea has a molecular weight of 140.19 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-methylidenebut-3-enyl)urea is sourced from PubChem (CID 90221782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).