1-methyl-1-(2-methylprop-2-enyl)urea

C6H12N2O — CID 115964716

IUPAC1-methyl-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(C)C(N)=O
InChIInChI=1S/C6H12N2O/c1-5(2)4-8(3)6(7)9/h1,4H2,2-3H3,(H2,7,9)
InChIKeyBAPCRPAPTHUZJH-UHFFFAOYSA-N
MW128.17 g/mol
LogP0.57
Rot. Bonds2

About 1-methyl-1-(2-methylprop-2-enyl)urea

1-methyl-1-(2-methylprop-2-enyl)urea (PubChem CID 115964716) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 1-methyl-1-(2-methylprop-2-enyl)urea.

Molecular Properties

Compound Name1-methyl-1-(2-methylprop-2-enyl)urea
PubChem CID115964716
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name1-methyl-1-(2-methylprop-2-enyl)urea
SMILESC=C(C)CN(C)C(N)=O
InChIInChI=1S/C6H12N2O/c1-5(2)4-8(3)6(7)9/h1,4H2,2-3H3,(H2,7,9)
InChIKeyBAPCRPAPTHUZJH-UHFFFAOYSA-N
XLogP0.57
TPSA46.33 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 ≤ 50.57
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

N-methyl-N-(2-methylprop-2-enyl)acetamide
CID 115968492
(2R)-2-amino-N-methyl-N-(2-methylprop-2-enyl)propanamide
CID 104868591
1,3-dimethyl-1-(2-methylprop-2-enyl)urea
CID 115964722
2-methylpropyl N-methyl-N-(2-methylprop-2-enyl)carbamate
CID 162502181
1-ethyl-1-methylurea
CID 3032104
N-methyl-N-(2-methylprop-2-enyl)hydroxylamine
CID 102036894
(2R)-5-amino-2-[[methyl(2-methylprop-2-enyl)carbamoyl]amino]-5-oxopentanoic acid
CID 107831129
N-methyl-N-(2-methylprop-2-enyl)azepane-1-carboxamide
CID 116657967
tert-butyl 2-[carbamoyl(methyl)amino]acetate
CID 90191357
4-fluoro-N-methyl-N-(2-methylprop-2-enyl)benzamide
CID 115968413
(Z)-1-[3-(dimethylamino)prop-1-en-2-ylsulfanyl]prop-1-en-2-amine
CID 163689455
N-methyl-N-(2-methylprop-2-enyl)-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107035698

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-(2-methylprop-2-enyl)urea?
The IUPAC name of 1-methyl-1-(2-methylprop-2-enyl)urea (CID 115964716) is 1-methyl-1-(2-methylprop-2-enyl)urea.
What is the SMILES notation for 1-methyl-1-(2-methylprop-2-enyl)urea?
The canonical SMILES for 1-methyl-1-(2-methylprop-2-enyl)urea is C=C(C)CN(C)C(N)=O.
What is the InChIKey of 1-methyl-1-(2-methylprop-2-enyl)urea?
The InChIKey is BAPCRPAPTHUZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-5(2)4-8(3)6(7)9/h1,4H2,2-3H3,(H2,7,9).
What are the key properties of 1-methyl-1-(2-methylprop-2-enyl)urea?
1-methyl-1-(2-methylprop-2-enyl)urea has a molecular weight of 128.17 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-(2-methylprop-2-enyl)urea is sourced from PubChem (CID 115964716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).