3-[(E)-but-1-enyl]-1,1-bis(2-methoxyethyl)urea

C11H22N2O3 — CID 108910719

IUPAC3-[(E)-but-1-enyl]-1,1-bis(2-methoxyethyl)urea
SMILESCC/C=C/NC(=O)N(CCOC)CCOC
InChIInChI=1S/C11H22N2O3/c1-4-5-6-12-11(14)13(7-9-15-2)8-10-16-3/h5-6H,4,7-10H2,1-3H3,(H,12,14)/b6-5+
InChIKeyXHRYULOEGRWXIK-AATRIKPKSA-N
MW230.31 g/mol
LogP1.21
Rot. Bonds8

About 3-[(E)-but-1-enyl]-1,1-bis(2-methoxyethyl)urea

3-[(E)-but-1-enyl]-1,1-bis(2-methoxyethyl)urea (PubChem CID 108910719) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[(E)-but-1-enyl]-1,1-bis(2-methoxyethyl)urea.

Molecular Properties

Compound Name3-[(E)-but-1-enyl]-1,1-bis(2-methoxyethyl)urea
PubChem CID108910719
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[(E)-but-1-enyl]-1,1-bis(2-methoxyethyl)urea
SMILESCC/C=C/NC(=O)N(CCOC)CCOC
InChIInChI=1S/C11H22N2O3/c1-4-5-6-12-11(14)13(7-9-15-2)8-10-16-3/h5-6H,4,7-10H2,1-3H3,(H,12,14)/b6-5+
InChIKeyXHRYULOEGRWXIK-AATRIKPKSA-N
XLogP1.21
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-1-enyl]-1,1-bis(2-methoxyethyl)urea?
The IUPAC name of 3-[(E)-but-1-enyl]-1,1-bis(2-methoxyethyl)urea (CID 108910719) is 3-[(E)-but-1-enyl]-1,1-bis(2-methoxyethyl)urea.
What is the SMILES notation for 3-[(E)-but-1-enyl]-1,1-bis(2-methoxyethyl)urea?
The canonical SMILES for 3-[(E)-but-1-enyl]-1,1-bis(2-methoxyethyl)urea is CC/C=C/NC(=O)N(CCOC)CCOC.
What is the InChIKey of 3-[(E)-but-1-enyl]-1,1-bis(2-methoxyethyl)urea?
The InChIKey is XHRYULOEGRWXIK-AATRIKPKSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-4-5-6-12-11(14)13(7-9-15-2)8-10-16-3/h5-6H,4,7-10H2,1-3H3,(H,12,14)/b6-5+.
What are the key properties of 3-[(E)-but-1-enyl]-1,1-bis(2-methoxyethyl)urea?
3-[(E)-but-1-enyl]-1,1-bis(2-methoxyethyl)urea has a molecular weight of 230.31 g/mol, XLogP of 1.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-1-enyl]-1,1-bis(2-methoxyethyl)urea is sourced from PubChem (CID 108910719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).