3-[(E)-2,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea

C11H22N2O3 — CID 108914622

IUPAC3-[(E)-2,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea
SMILESC/C(=C\NC(=O)N(CCO)CCO)C(C)C
InChIInChI=1S/C11H22N2O3/c1-9(2)10(3)8-12-11(16)13(4-6-14)5-7-15/h8-9,14-15H,4-7H2,1-3H3,(H,12,16)/b10-8+
InChIKeyJRHGLNHQZXKJLQ-CSKARUKUSA-N
MW230.31 g/mol
LogP0.54
Rot. Bonds6

About 3-[(E)-2,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea

3-[(E)-2,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea (PubChem CID 108914622) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[(E)-2,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[(E)-2,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea
PubChem CID108914622
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[(E)-2,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea
SMILESC/C(=C\NC(=O)N(CCO)CCO)C(C)C
InChIInChI=1S/C11H22N2O3/c1-9(2)10(3)8-12-11(16)13(4-6-14)5-7-15/h8-9,14-15H,4-7H2,1-3H3,(H,12,16)/b10-8+
InChIKeyJRHGLNHQZXKJLQ-CSKARUKUSA-N
XLogP0.54
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1,1-Bis(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea
CID 108909832
4-(2-hydroxyethyl)-N-(2-methylprop-1-enyl)piperazine-1-carboxamide
CID 108909922
1-Ethyl-1-(2-hydroxyethyl)-3-(2-methylprop-1-enyl)urea
CID 108909941
1-(2-Hydroxyethyl)-1-methyl-3-(2-methylprop-1-enyl)urea
CID 108909957
3-[(E)-but-1-enyl]-1,1-bis(2-hydroxyethyl)urea
CID 108910574
3-[(E)-but-1-enyl]-1-ethyl-1-(2-hydroxyethyl)urea
CID 108910684
3-[(E)-but-1-enyl]-1-(2-hydroxyethyl)-1-methylurea
CID 108910700
1,1-bis(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108910947
1-ethyl-1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911057
1-(2-hydroxyethyl)-1-methyl-3-[(E)-3-methylbut-1-enyl]urea
CID 108911073
1-(2-hydroxyethyl)-3-[(E)-3-methylbut-1-enyl]urea
CID 108911085
3-[(E)-3,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea
CID 108911320

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea?
The IUPAC name of 3-[(E)-2,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea (CID 108914622) is 3-[(E)-2,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[(E)-2,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea?
The canonical SMILES for 3-[(E)-2,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea is C/C(=C\NC(=O)N(CCO)CCO)C(C)C.
What is the InChIKey of 3-[(E)-2,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea?
The InChIKey is JRHGLNHQZXKJLQ-CSKARUKUSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-9(2)10(3)8-12-11(16)13(4-6-14)5-7-15/h8-9,14-15H,4-7H2,1-3H3,(H,12,16)/b10-8+.
What are the key properties of 3-[(E)-2,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea?
3-[(E)-2,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea has a molecular weight of 230.31 g/mol, XLogP of 0.54, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea is sourced from PubChem (CID 108914622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).