1-ethyl-3-methyl-1-[(E)-prop-1-enyl]urea

C7H14N2O — CID 129229779

IUPAC1-ethyl-3-methyl-1-[(E)-prop-1-enyl]urea
SMILESC/C=C/N(CC)C(=O)NC
InChIInChI=1S/C7H14N2O/c1-4-6-9(5-2)7(10)8-3/h4,6H,5H2,1-3H3,(H,8,10)/b6-4+
InChIKeyCUNXWQCQUNWUTI-GQCTYLIASA-N
MW142.20 g/mol
LogP1.18
Rot. Bonds2

About 1-ethyl-3-methyl-1-[(E)-prop-1-enyl]urea

1-ethyl-3-methyl-1-[(E)-prop-1-enyl]urea (PubChem CID 129229779) has the molecular formula C7H14N2O and a molecular weight of 142.20 g/mol. Its IUPAC name is 1-ethyl-3-methyl-1-[(E)-prop-1-enyl]urea.

Molecular Properties

Compound Name1-ethyl-3-methyl-1-[(E)-prop-1-enyl]urea
PubChem CID129229779
Molecular FormulaC7H14N2O
Molecular Weight142.20 g/mol
Exact Mass142.11
IUPAC Name1-ethyl-3-methyl-1-[(E)-prop-1-enyl]urea
SMILESC/C=C/N(CC)C(=O)NC
InChIInChI=1S/C7H14N2O/c1-4-6-9(5-2)7(10)8-3/h4,6H,5H2,1-3H3,(H,8,10)/b6-4+
InChIKeyCUNXWQCQUNWUTI-GQCTYLIASA-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-ethyl-3-methyl-1-[(E)-prop-1-enyl]urea?
The IUPAC name of 1-ethyl-3-methyl-1-[(E)-prop-1-enyl]urea (CID 129229779) is 1-ethyl-3-methyl-1-[(E)-prop-1-enyl]urea.
What is the SMILES notation for 1-ethyl-3-methyl-1-[(E)-prop-1-enyl]urea?
The canonical SMILES for 1-ethyl-3-methyl-1-[(E)-prop-1-enyl]urea is C/C=C/N(CC)C(=O)NC.
What is the InChIKey of 1-ethyl-3-methyl-1-[(E)-prop-1-enyl]urea?
The InChIKey is CUNXWQCQUNWUTI-GQCTYLIASA-N. The full InChI is InChI=1S/C7H14N2O/c1-4-6-9(5-2)7(10)8-3/h4,6H,5H2,1-3H3,(H,8,10)/b6-4+.
What are the key properties of 1-ethyl-3-methyl-1-[(E)-prop-1-enyl]urea?
1-ethyl-3-methyl-1-[(E)-prop-1-enyl]urea 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-ethyl-3-methyl-1-[(E)-prop-1-enyl]urea is sourced from PubChem (CID 129229779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).