1-[(E)-3-methylbut-1-enyl]-3-(2-morpholin-4-ylethyl)urea

C12H23N3O2 — CID 108910997

IUPAC1-[(E)-3-methylbut-1-enyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCC(C)/C=C/NC(=O)NCCN1CCOCC1
InChIInChI=1S/C12H23N3O2/c1-11(2)3-4-13-12(16)14-5-6-15-7-9-17-10-8-15/h3-4,11H,5-10H2,1-2H3,(H2,13,14,16)/b4-3+
InChIKeyCSFQMLHXPMSMBY-ONEGZZNKSA-N
MW241.33 g/mol
LogP0.79
Rot. Bonds5

About 1-[(E)-3-methylbut-1-enyl]-3-(2-morpholin-4-ylethyl)urea

1-[(E)-3-methylbut-1-enyl]-3-(2-morpholin-4-ylethyl)urea (PubChem CID 108910997) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-[(E)-3-methylbut-1-enyl]-3-(2-morpholin-4-ylethyl)urea.

Molecular Properties

Compound Name1-[(E)-3-methylbut-1-enyl]-3-(2-morpholin-4-ylethyl)urea
PubChem CID108910997
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-[(E)-3-methylbut-1-enyl]-3-(2-morpholin-4-ylethyl)urea
SMILESCC(C)/C=C/NC(=O)NCCN1CCOCC1
InChIInChI=1S/C12H23N3O2/c1-11(2)3-4-13-12(16)14-5-6-15-7-9-17-10-8-15/h3-4,11H,5-10H2,1-2H3,(H2,13,14,16)/b4-3+
InChIKeyCSFQMLHXPMSMBY-ONEGZZNKSA-N
XLogP0.79
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-methylbut-1-enyl]-3-(2-morpholin-4-ylethyl)urea?
The IUPAC name of 1-[(E)-3-methylbut-1-enyl]-3-(2-morpholin-4-ylethyl)urea (CID 108910997) is 1-[(E)-3-methylbut-1-enyl]-3-(2-morpholin-4-ylethyl)urea.
What is the SMILES notation for 1-[(E)-3-methylbut-1-enyl]-3-(2-morpholin-4-ylethyl)urea?
The canonical SMILES for 1-[(E)-3-methylbut-1-enyl]-3-(2-morpholin-4-ylethyl)urea is CC(C)/C=C/NC(=O)NCCN1CCOCC1.
What is the InChIKey of 1-[(E)-3-methylbut-1-enyl]-3-(2-morpholin-4-ylethyl)urea?
The InChIKey is CSFQMLHXPMSMBY-ONEGZZNKSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-11(2)3-4-13-12(16)14-5-6-15-7-9-17-10-8-15/h3-4,11H,5-10H2,1-2H3,(H2,13,14,16)/b4-3+.
What are the key properties of 1-[(E)-3-methylbut-1-enyl]-3-(2-morpholin-4-ylethyl)urea?
1-[(E)-3-methylbut-1-enyl]-3-(2-morpholin-4-ylethyl)urea has a molecular weight of 241.33 g/mol, XLogP of 0.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-methylbut-1-enyl]-3-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 108910997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).