1,3-dimethyl-1-prop-2-enylurea

C6H12N2O — CID 13202347

IUPAC1,3-dimethyl-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)NC
InChIInChI=1S/C6H12N2O/c1-4-5-8(3)6(9)7-2/h4H,1,5H2,2-3H3,(H,7,9)
InChIKeyQZWADTYYWACRBF-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.44
Rot. Bonds2

About 1,3-dimethyl-1-prop-2-enylurea

1,3-dimethyl-1-prop-2-enylurea (PubChem CID 13202347) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1,3-dimethyl-1-prop-2-enylurea.

Molecular Properties

Compound Name1,3-dimethyl-1-prop-2-enylurea
PubChem CID13202347
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1,3-dimethyl-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)NC
InChIInChI=1S/C6H12N2O/c1-4-5-8(3)6(9)7-2/h4H,1,5H2,2-3H3,(H,7,9)
InChIKeyQZWADTYYWACRBF-UHFFFAOYSA-N
XLogP0.44
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 50.44
H-Bond Donors ≤ 51
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 1,3-dimethyl-1-prop-2-enylurea?
The IUPAC name of 1,3-dimethyl-1-prop-2-enylurea (CID 13202347) is 1,3-dimethyl-1-prop-2-enylurea.
What is the SMILES notation for 1,3-dimethyl-1-prop-2-enylurea?
The canonical SMILES for 1,3-dimethyl-1-prop-2-enylurea is C=CCN(C)C(=O)NC.
What is the InChIKey of 1,3-dimethyl-1-prop-2-enylurea?
The InChIKey is QZWADTYYWACRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-4-5-8(3)6(9)7-2/h4H,1,5H2,2-3H3,(H,7,9).
What are the key properties of 1,3-dimethyl-1-prop-2-enylurea?
1,3-dimethyl-1-prop-2-enylurea has a molecular weight of 128.17 g/mol, XLogP of 0.44, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-1-prop-2-enylurea is sourced from PubChem (CID 13202347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).