1,3-dimethyl-1-(2-methylprop-2-enyl)urea

C7H14N2O — CID 115964722

IUPAC1,3-dimethyl-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(C)C(=O)NC
InChIInChI=1S/C7H14N2O/c1-6(2)5-9(4)7(10)8-3/h1,5H2,2-4H3,(H,8,10)
InChIKeyNFESORMTSMLLPS-UHFFFAOYSA-N
MW142.20 g/mol
LogP0.83
Rot. Bonds2

About 1,3-dimethyl-1-(2-methylprop-2-enyl)urea

1,3-dimethyl-1-(2-methylprop-2-enyl)urea (PubChem CID 115964722) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1,3-dimethyl-1-(2-methylprop-2-enyl)urea.

Molecular Properties

Compound Name1,3-dimethyl-1-(2-methylprop-2-enyl)urea
PubChem CID115964722
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1,3-dimethyl-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(C)C(=O)NC
InChIInChI=1S/C7H14N2O/c1-6(2)5-9(4)7(10)8-3/h1,5H2,2-4H3,(H,8,10)
InChIKeyNFESORMTSMLLPS-UHFFFAOYSA-N
XLogP0.83
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-3-methyl-1-(2-methylprop-2-enyl)urea
CID 13247183
N-methyl-N-(2-methylprop-2-enyl)acetamide
CID 115968492
1-methyl-1-(2-methylprop-2-enyl)urea
CID 115964716
2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide
CID 115575214
(2R)-5-amino-2-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107831129
(2S)-4-methoxy-2-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]-4-oxobutanoic acid
CID 104868684
(2R)-2-amino-N-methyl-N-(2-methylprop-2-enyl)propanamide
CID 104868591
N-methyl-N-(2-methylprop-2-enyl)hydroxylamine
CID 102036894
N-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide
CID 116657967
2-methylpropyl N-methyl-N-(2-methylprop-2-enyl)carbamate
CID 162502181
4-bromo-3-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]benzoic acid
CID 107814332
(2S)-3-(4-hydroxyphenyl)-2-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]propanoic acid
CID 104868679

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-1-(2-methylprop-2-enyl)urea?
The IUPAC name of 1,3-dimethyl-1-(2-methylprop-2-enyl)urea (CID 115964722) is 1,3-dimethyl-1-(2-methylprop-2-enyl)urea.
What is the SMILES notation for 1,3-dimethyl-1-(2-methylprop-2-enyl)urea?
The canonical SMILES for 1,3-dimethyl-1-(2-methylprop-2-enyl)urea is C=C(C)CN(C)C(=O)NC.
What is the InChIKey of 1,3-dimethyl-1-(2-methylprop-2-enyl)urea?
The InChIKey is NFESORMTSMLLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-6(2)5-9(4)7(10)8-3/h1,5H2,2-4H3,(H,8,10).
What are the key properties of 1,3-dimethyl-1-(2-methylprop-2-enyl)urea?
1,3-dimethyl-1-(2-methylprop-2-enyl)urea has a molecular weight of 142.20 g/mol, XLogP of 0.83, 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-(2-methylprop-2-enyl)urea is sourced from PubChem (CID 115964722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).