1-[(E)-but-1-enyl]-3-ethylurea

C7H14N2O — CID 108910652

IUPAC1-[(E)-but-1-enyl]-3-ethylurea
SMILESCC/C=C/NC(=O)NCC
InChIInChI=1S/C7H14N2O/c1-3-5-6-9-7(10)8-4-2/h5-6H,3-4H2,1-2H3,(H2,8,9,10)/b6-5+
InChIKeyDOSHHQUVPYQZDC-AATRIKPKSA-N
MW142.20 g/mol
LogP1.23
Rot. Bonds3

About 1-[(E)-but-1-enyl]-3-ethylurea

1-[(E)-but-1-enyl]-3-ethylurea (PubChem CID 108910652) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-[(E)-but-1-enyl]-3-ethylurea.

Molecular Properties

Compound Name1-[(E)-but-1-enyl]-3-ethylurea
PubChem CID108910652
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-[(E)-but-1-enyl]-3-ethylurea
SMILESCC/C=C/NC(=O)NCC
InChIInChI=1S/C7H14N2O/c1-3-5-6-9-7(10)8-4-2/h5-6H,3-4H2,1-2H3,(H2,8,9,10)/b6-5+
InChIKeyDOSHHQUVPYQZDC-AATRIKPKSA-N
XLogP1.23
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.20
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-but-1-enyl]-3-(3-methoxypropyl)urea
CID 108910553
1,3-bis(ethylcarbamoyl)urea
CID 134915369
1,3-diethylurea;ethane
CID 142885504
1-[(E)-but-1-enyl]-3-[2-(4-chlorophenyl)ethyl]urea
CID 108910845
3-[(E)-but-1-enyl]-1,1-dipropylurea
CID 108910720
1-[(E)-but-1-enyl]-3-(2-hydroxyphenyl)urea
CID 108910603
methyl 4-[[[(E)-but-1-enyl]carbamoylamino]methyl]benzoate
CID 108910824
1-[(E)-but-1-enyl]-3-[2-(4-methoxyphenoxy)ethyl]urea
CID 108910756
1-[2-(2-bromophenyl)ethyl]-3-[(E)-but-1-enyl]urea
CID 108910838
1-[(E)-but-1-enyl]-3-(4-propan-2-ylphenyl)urea
CID 108910510
2-chloro-N-(ethylcarbamoyl)acetamide
CID 2304790
1-(5-bromo-2-pyridinyl)-3-[(E)-but-1-enyl]urea
CID 108910850

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-but-1-enyl]-3-ethylurea?
The IUPAC name of 1-[(E)-but-1-enyl]-3-ethylurea (CID 108910652) is 1-[(E)-but-1-enyl]-3-ethylurea.
What is the SMILES notation for 1-[(E)-but-1-enyl]-3-ethylurea?
The canonical SMILES for 1-[(E)-but-1-enyl]-3-ethylurea is CC/C=C/NC(=O)NCC.
What is the InChIKey of 1-[(E)-but-1-enyl]-3-ethylurea?
The InChIKey is DOSHHQUVPYQZDC-AATRIKPKSA-N. The full InChI is InChI=1S/C7H14N2O/c1-3-5-6-9-7(10)8-4-2/h5-6H,3-4H2,1-2H3,(H2,8,9,10)/b6-5+.
What are the key properties of 1-[(E)-but-1-enyl]-3-ethylurea?
1-[(E)-but-1-enyl]-3-ethylurea has a molecular weight of 142.20 g/mol, XLogP of 1.23, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-1-enyl]-3-ethylurea is sourced from PubChem (CID 108910652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).