1-(2,3-dimethylbut-3-en-2-yl)-3-methylurea

C8H16N2O — CID 101061255

IUPAC1-(2,3-dimethylbut-3-en-2-yl)-3-methylurea
SMILESC=C(C)C(C)(C)NC(=O)NC
InChIInChI=1S/C8H16N2O/c1-6(2)8(3,4)10-7(11)9-5/h1H2,2-5H3,(H2,9,10,11)
InChIKeyZDTQFNIZXCSSSL-UHFFFAOYSA-N
MW156.23 g/mol
LogP1.27
Rot. Bonds2

About 1-(2,3-dimethylbut-3-en-2-yl)-3-methylurea

1-(2,3-dimethylbut-3-en-2-yl)-3-methylurea (PubChem CID 101061255) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-(2,3-dimethylbut-3-en-2-yl)-3-methylurea.

Molecular Properties

Compound Name1-(2,3-dimethylbut-3-en-2-yl)-3-methylurea
PubChem CID101061255
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-(2,3-dimethylbut-3-en-2-yl)-3-methylurea
SMILESC=C(C)C(C)(C)NC(=O)NC
InChIInChI=1S/C8H16N2O/c1-6(2)8(3,4)10-7(11)9-5/h1H2,2-5H3,(H2,9,10,11)
InChIKeyZDTQFNIZXCSSSL-UHFFFAOYSA-N
XLogP1.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.27
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

1,3-dimethylurea
CID 163366790
1,3-dimethylurea
CID 7293
(2,3-dimethylbut-3-en-2-ylamino) acetate
CID 88635791
2-methyl-2-(2-methylprop-2-enylcarbamoylamino)propanoic acid
CID 24693363
[(E)-[3-methyl-3-(methylcarbamoylamino)butan-2-ylidene]amino] N-ethylcarbamate
CID 7639690
1-(1-methoxy-2-methylpropan-2-yl)-3-methylurea
CID 115690659
N-(methylcarbamoylcarbamoylcarbamoyl)acetamide
CID 137435335
N,2-dimethyl-2-(methylamino)propanamide;hydrochloride
CID 75530899
2-acetyl-N,3,3,4-tetramethylpent-4-enamide
CID 11816443
1-[(E)-3,3-dimethylbut-1-enyl]-3-methylurea
CID 108911440
1-(1-hydroxy-3-methylpentan-3-yl)-3-methylurea
CID 103819942
formaldehyde;N-methylacetamide
CID 159490973

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylbut-3-en-2-yl)-3-methylurea?
The IUPAC name of 1-(2,3-dimethylbut-3-en-2-yl)-3-methylurea (CID 101061255) is 1-(2,3-dimethylbut-3-en-2-yl)-3-methylurea.
What is the SMILES notation for 1-(2,3-dimethylbut-3-en-2-yl)-3-methylurea?
The canonical SMILES for 1-(2,3-dimethylbut-3-en-2-yl)-3-methylurea is C=C(C)C(C)(C)NC(=O)NC.
What is the InChIKey of 1-(2,3-dimethylbut-3-en-2-yl)-3-methylurea?
The InChIKey is ZDTQFNIZXCSSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O/c1-6(2)8(3,4)10-7(11)9-5/h1H2,2-5H3,(H2,9,10,11).
What are the key properties of 1-(2,3-dimethylbut-3-en-2-yl)-3-methylurea?
1-(2,3-dimethylbut-3-en-2-yl)-3-methylurea has a molecular weight of 156.23 g/mol, XLogP of 1.27, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylbut-3-en-2-yl)-3-methylurea is sourced from PubChem (CID 101061255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).