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

C11H22N2O3 — CID 108911320

IUPAC3-[(E)-3,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea
SMILESCC(C)(C)/C=C/NC(=O)N(CCO)CCO
InChIInChI=1S/C11H22N2O3/c1-11(2,3)4-5-12-10(16)13(6-8-14)7-9-15/h4-5,14-15H,6-9H2,1-3H3,(H,12,16)/b5-4+
InChIKeyYOMAIKHHZWPKPC-SNAWJCMRSA-N
MW230.31 g/mol
LogP0.54
Rot. Bonds5

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

3-[(E)-3,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea (PubChem CID 108911320) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[(E)-3,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-[(E)-3,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea
PubChem CID108911320
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Name3-[(E)-3,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea
SMILESCC(C)(C)/C=C/NC(=O)N(CCO)CCO
InChIInChI=1S/C11H22N2O3/c1-11(2,3)4-5-12-10(16)13(6-8-14)7-9-15/h4-5,14-15H,6-9H2,1-3H3,(H,12,16)/b5-4+
InChIKeyYOMAIKHHZWPKPC-SNAWJCMRSA-N
XLogP0.54
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea?
The IUPAC name of 3-[(E)-3,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea (CID 108911320) is 3-[(E)-3,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea.
What is the SMILES notation for 3-[(E)-3,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea?
The canonical SMILES for 3-[(E)-3,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea is CC(C)(C)/C=C/NC(=O)N(CCO)CCO.
What is the InChIKey of 3-[(E)-3,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea?
The InChIKey is YOMAIKHHZWPKPC-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-11(2,3)4-5-12-10(16)13(6-8-14)7-9-15/h4-5,14-15H,6-9H2,1-3H3,(H,12,16)/b5-4+.
What are the key properties of 3-[(E)-3,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea?
3-[(E)-3,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea has a molecular weight of 230.31 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3,3-dimethylbut-1-enyl]-1,1-bis(2-hydroxyethyl)urea is sourced from PubChem (CID 108911320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).