1-ethyl-3-[(E)-3-methylbut-1-enyl]urea

C8H16N2O — CID 108911025

IUPAC1-ethyl-3-[(E)-3-methylbut-1-enyl]urea
SMILESCCNC(=O)N/C=C/C(C)C
InChIInChI=1S/C8H16N2O/c1-4-9-8(11)10-6-5-7(2)3/h5-7H,4H2,1-3H3,(H2,9,10,11)/b6-5+
InChIKeyLDYMRKDPRNPXBW-AATRIKPKSA-N
MW156.23 g/mol
LogP1.48
Rot. Bonds3

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

1-ethyl-3-[(E)-3-methylbut-1-enyl]urea (PubChem CID 108911025) has the molecular formula C8H16N2O and a molecular weight of 156.23 g/mol. Its IUPAC name is 1-ethyl-3-[(E)-3-methylbut-1-enyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(E)-3-methylbut-1-enyl]urea
PubChem CID108911025
Molecular FormulaC8H16N2O
Molecular Weight156.23 g/mol
Exact Mass156.13
IUPAC Name1-ethyl-3-[(E)-3-methylbut-1-enyl]urea
SMILESCCNC(=O)N/C=C/C(C)C
InChIInChI=1S/C8H16N2O/c1-4-9-8(11)10-6-5-7(2)3/h5-7H,4H2,1-3H3,(H2,9,10,11)/b6-5+
InChIKeyLDYMRKDPRNPXBW-AATRIKPKSA-N
XLogP1.48
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(E)-3-methylbut-1-enyl]urea?
The IUPAC name of 1-ethyl-3-[(E)-3-methylbut-1-enyl]urea (CID 108911025) is 1-ethyl-3-[(E)-3-methylbut-1-enyl]urea.
What is the SMILES notation for 1-ethyl-3-[(E)-3-methylbut-1-enyl]urea?
The canonical SMILES for 1-ethyl-3-[(E)-3-methylbut-1-enyl]urea is CCNC(=O)N/C=C/C(C)C.
What is the InChIKey of 1-ethyl-3-[(E)-3-methylbut-1-enyl]urea?
The InChIKey is LDYMRKDPRNPXBW-AATRIKPKSA-N. The full InChI is InChI=1S/C8H16N2O/c1-4-9-8(11)10-6-5-7(2)3/h5-7H,4H2,1-3H3,(H2,9,10,11)/b6-5+.
What are the key properties of 1-ethyl-3-[(E)-3-methylbut-1-enyl]urea?
1-ethyl-3-[(E)-3-methylbut-1-enyl]urea has a molecular weight of 156.23 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(E)-3-methylbut-1-enyl]urea is sourced from PubChem (CID 108911025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).