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

C9H18N2O2 — CID 108914760

IUPAC1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-hydroxyethyl)urea
SMILESC/C(=C\NC(=O)NCCO)C(C)C
InChIInChI=1S/C9H18N2O2/c1-7(2)8(3)6-11-9(13)10-4-5-12/h6-7,12H,4-5H2,1-3H3,(H2,10,11,13)/b8-6+
InChIKeyPFZBVGWYBZJVEE-SOFGYWHQSA-N
MW186.25 g/mol
LogP0.84
Rot. Bonds4

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

1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-hydroxyethyl)urea (PubChem CID 108914760) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-hydroxyethyl)urea.

Molecular Properties

Compound Name1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-hydroxyethyl)urea
PubChem CID108914760
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-hydroxyethyl)urea
SMILESC/C(=C\NC(=O)NCCO)C(C)C
InChIInChI=1S/C9H18N2O2/c1-7(2)8(3)6-11-9(13)10-4-5-12/h6-7,12H,4-5H2,1-3H3,(H2,10,11,13)/b8-6+
InChIKeyPFZBVGWYBZJVEE-SOFGYWHQSA-N
XLogP0.84
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-hydroxyethyl)urea?
The IUPAC name of 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-hydroxyethyl)urea (CID 108914760) is 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-hydroxyethyl)urea.
What is the SMILES notation for 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-hydroxyethyl)urea?
The canonical SMILES for 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-hydroxyethyl)urea is C/C(=C\NC(=O)NCCO)C(C)C.
What is the InChIKey of 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-hydroxyethyl)urea?
The InChIKey is PFZBVGWYBZJVEE-SOFGYWHQSA-N. The full InChI is InChI=1S/C9H18N2O2/c1-7(2)8(3)6-11-9(13)10-4-5-12/h6-7,12H,4-5H2,1-3H3,(H2,10,11,13)/b8-6+.
What are the key properties of 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-hydroxyethyl)urea?
1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-hydroxyethyl)urea has a molecular weight of 186.25 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2,3-dimethylbut-1-enyl]-3-(2-hydroxyethyl)urea is sourced from PubChem (CID 108914760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).