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

C11H22N2O — CID 108910720

IUPAC3-[(E)-but-1-enyl]-1,1-dipropylurea
SMILESCC/C=C/NC(=O)N(CCC)CCC
InChIInChI=1S/C11H22N2O/c1-4-7-8-12-11(14)13(9-5-2)10-6-3/h7-8H,4-6,9-10H2,1-3H3,(H,12,14)/b8-7+
InChIKeyREKSYHPDOBUTEK-BQYQJAHWSA-N
MW198.31 g/mol
LogP2.74
Rot. Bonds6

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

3-[(E)-but-1-enyl]-1,1-dipropylurea (PubChem CID 108910720) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-[(E)-but-1-enyl]-1,1-dipropylurea.

Molecular Properties

Compound Name3-[(E)-but-1-enyl]-1,1-dipropylurea
PubChem CID108910720
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-[(E)-but-1-enyl]-1,1-dipropylurea
SMILESCC/C=C/NC(=O)N(CCC)CCC
InChIInChI=1S/C11H22N2O/c1-4-7-8-12-11(14)13(9-5-2)10-6-3/h7-8H,4-6,9-10H2,1-3H3,(H,12,14)/b8-7+
InChIKeyREKSYHPDOBUTEK-BQYQJAHWSA-N
XLogP2.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 67592206
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1-But-3-enyl-1,3-dimethylurea
CID 55300349
1-But-3-enyl-3-methyl-1-propan-2-ylurea
CID 85551378
1-But-3-enyl-1-tert-butyl-3-methylurea
CID 85551381
1-But-3-enyl-1,3-di(propan-2-yl)urea
CID 85551385
N,N'-dibutenylurea
CID 129726267
3-[(E)-but-1-enyl]-1,1-dimethylurea
CID 10240909
N-ethyl-4H-pyridine-1-carboxamide
CID 20063789
3-But-3-enyl-1,1-dibutylurea
CID 23466617
3,4-Di(propan-2-yl)-1,4-dihydropyrimidin-2-one
CID 23529110

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-1-enyl]-1,1-dipropylurea?
The IUPAC name of 3-[(E)-but-1-enyl]-1,1-dipropylurea (CID 108910720) is 3-[(E)-but-1-enyl]-1,1-dipropylurea.
What is the SMILES notation for 3-[(E)-but-1-enyl]-1,1-dipropylurea?
The canonical SMILES for 3-[(E)-but-1-enyl]-1,1-dipropylurea is CC/C=C/NC(=O)N(CCC)CCC.
What is the InChIKey of 3-[(E)-but-1-enyl]-1,1-dipropylurea?
The InChIKey is REKSYHPDOBUTEK-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-7-8-12-11(14)13(9-5-2)10-6-3/h7-8H,4-6,9-10H2,1-3H3,(H,12,14)/b8-7+.
What are the key properties of 3-[(E)-but-1-enyl]-1,1-dipropylurea?
3-[(E)-but-1-enyl]-1,1-dipropylurea has a molecular weight of 198.31 g/mol, XLogP of 2.74, 6 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-dipropylurea is sourced from PubChem (CID 108910720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).