1-(2-methylbut-3-en-2-yl)-3-phenylurea

C12H16N2O — CID 14940484

IUPAC1-(2-methylbut-3-en-2-yl)-3-phenylurea
SMILESC=CC(C)(C)NC(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2O/c1-4-12(2,3)14-11(15)13-10-8-6-5-7-9-10/h4-9H,1H2,2-3H3,(H2,13,14,15)
InChIKeyJSTUMKGLIMXXJR-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.77
Rot. Bonds3

About 1-(2-methylbut-3-en-2-yl)-3-phenylurea

1-(2-methylbut-3-en-2-yl)-3-phenylurea (PubChem CID 14940484) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 1-(2-methylbut-3-en-2-yl)-3-phenylurea.

Molecular Properties

Compound Name1-(2-methylbut-3-en-2-yl)-3-phenylurea
PubChem CID14940484
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name1-(2-methylbut-3-en-2-yl)-3-phenylurea
SMILESC=CC(C)(C)NC(=O)Nc1ccccc1
InChIInChI=1S/C12H16N2O/c1-4-12(2,3)14-11(15)13-10-8-6-5-7-9-10/h4-9H,1H2,2-3H3,(H2,13,14,15)
InChIKeyJSTUMKGLIMXXJR-UHFFFAOYSA-N
XLogP2.77
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[dichloro-(phenylcarbamoylamino)methyl]-3-phenylurea
CID 3516475
1-(1,3-dihydroxy-2-methylpropan-2-yl)-3-phenylurea
CID 4056614
1-phenyl-3-[(2,5,5-trimethyl-4-oxohept-6-en-2-yl)amino]urea
CID 44724216
1-(1-methoxy-2-methylpropan-2-yl)-3-phenylurea
CID 71878380
1-methyl-3-phenylurea;propane
CID 142949663
2-methylbut-3-en-2-ylcarbamic acid
CID 90034682
N-(3,3-dimethylbut-1-en-2-yl)aniline
CID 102590212
1-[2-methyl-1-(4-methylphenyl)propan-2-yl]-3-phenylurea
CID 110410273
1-(1-hydroxy-2-methylpropan-2-yl)-3-(4-phenylphenyl)urea
CID 108867208
1-(2-diethoxyphosphorylpropan-2-yl)-3-phenylurea
CID 10470871
1-[(2S)-1-hydroxy-2-phenylbutan-2-yl]-3-phenylurea
CID 95318710
2-acetamido-2-methyl-N-phenylpropanamide
CID 67963180

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbut-3-en-2-yl)-3-phenylurea?
The IUPAC name of 1-(2-methylbut-3-en-2-yl)-3-phenylurea (CID 14940484) is 1-(2-methylbut-3-en-2-yl)-3-phenylurea.
What is the SMILES notation for 1-(2-methylbut-3-en-2-yl)-3-phenylurea?
The canonical SMILES for 1-(2-methylbut-3-en-2-yl)-3-phenylurea is C=CC(C)(C)NC(=O)Nc1ccccc1.
What is the InChIKey of 1-(2-methylbut-3-en-2-yl)-3-phenylurea?
The InChIKey is JSTUMKGLIMXXJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-4-12(2,3)14-11(15)13-10-8-6-5-7-9-10/h4-9H,1H2,2-3H3,(H2,13,14,15).
What are the key properties of 1-(2-methylbut-3-en-2-yl)-3-phenylurea?
1-(2-methylbut-3-en-2-yl)-3-phenylurea has a molecular weight of 204.27 g/mol, XLogP of 2.77, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbut-3-en-2-yl)-3-phenylurea is sourced from PubChem (CID 14940484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).