3-[(E)-but-1-enyl]-1,1-dimethylurea

C7H14N2O — CID 10240909

IUPAC3-[(E)-but-1-enyl]-1,1-dimethylurea
SMILESCC/C=C/NC(=O)N(C)C
InChIInChI=1S/C7H14N2O/c1-4-5-6-8-7(10)9(2)3/h5-6H,4H2,1-3H3,(H,8,10)/b6-5+
InChIKeyWQDQNUPZXUPHOS-AATRIKPKSA-N
MW142.20 g/mol
LogP1.18
Rot. Bonds2

About 3-[(E)-but-1-enyl]-1,1-dimethylurea

3-[(E)-but-1-enyl]-1,1-dimethylurea (PubChem CID 10240909) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 3-[(E)-but-1-enyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[(E)-but-1-enyl]-1,1-dimethylurea
PubChem CID10240909
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name3-[(E)-but-1-enyl]-1,1-dimethylurea
SMILESCC/C=C/NC(=O)N(C)C
InChIInChI=1S/C7H14N2O/c1-4-5-6-8-7(10)9(2)3/h5-6H,4H2,1-3H3,(H,8,10)/b6-5+
InChIKeyWQDQNUPZXUPHOS-AATRIKPKSA-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 3-[(E)-but-1-enyl]-1,1-dimethylurea?
The IUPAC name of 3-[(E)-but-1-enyl]-1,1-dimethylurea (CID 10240909) is 3-[(E)-but-1-enyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[(E)-but-1-enyl]-1,1-dimethylurea?
The canonical SMILES for 3-[(E)-but-1-enyl]-1,1-dimethylurea is CC/C=C/NC(=O)N(C)C.
What is the InChIKey of 3-[(E)-but-1-enyl]-1,1-dimethylurea?
The InChIKey is WQDQNUPZXUPHOS-AATRIKPKSA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-5-6-8-7(10)9(2)3/h5-6H,4H2,1-3H3,(H,8,10)/b6-5+.
What are the key properties of 3-[(E)-but-1-enyl]-1,1-dimethylurea?
3-[(E)-but-1-enyl]-1,1-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 3-[(E)-but-1-enyl]-1,1-dimethylurea is sourced from PubChem (CID 10240909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).