1-but-1-en-2-yl-1,3-dimethylurea

C7H14N2O — CID 170053729

IUPAC1-but-1-en-2-yl-1,3-dimethylurea
SMILESC=C(CC)N(C)C(=O)NC
InChIInChI=1S/C7H14N2O/c1-5-6(2)9(4)7(10)8-3/h2,5H2,1,3-4H3,(H,8,10)
InChIKeyKDQABXSQFCHBML-UHFFFAOYSA-N
MW142.20 g/mol
LogP1.18
Rot. Bonds2

About 1-but-1-en-2-yl-1,3-dimethylurea

1-but-1-en-2-yl-1,3-dimethylurea (PubChem CID 170053729) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-but-1-en-2-yl-1,3-dimethylurea.

Molecular Properties

Compound Name1-but-1-en-2-yl-1,3-dimethylurea
PubChem CID170053729
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-but-1-en-2-yl-1,3-dimethylurea
SMILESC=C(CC)N(C)C(=O)NC
InChIInChI=1S/C7H14N2O/c1-5-6(2)9(4)7(10)8-3/h2,5H2,1,3-4H3,(H,8,10)
InChIKeyKDQABXSQFCHBML-UHFFFAOYSA-N
XLogP1.18
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 ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-1,3-dimethylurea?
The IUPAC name of 1-but-1-en-2-yl-1,3-dimethylurea (CID 170053729) is 1-but-1-en-2-yl-1,3-dimethylurea.
What is the SMILES notation for 1-but-1-en-2-yl-1,3-dimethylurea?
The canonical SMILES for 1-but-1-en-2-yl-1,3-dimethylurea is C=C(CC)N(C)C(=O)NC.
What is the InChIKey of 1-but-1-en-2-yl-1,3-dimethylurea?
The InChIKey is KDQABXSQFCHBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O/c1-5-6(2)9(4)7(10)8-3/h2,5H2,1,3-4H3,(H,8,10).
What are the key properties of 1-but-1-en-2-yl-1,3-dimethylurea?
1-but-1-en-2-yl-1,3-dimethylurea has a molecular weight of 142.20 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-1,3-dimethylurea is sourced from PubChem (CID 170053729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).