3-(cyclopentylidenemethyl)-1,1-bis(2-hydroxyethyl)urea

C11H20N2O3 — CID 108913503

IUPAC3-(cyclopentylidenemethyl)-1,1-bis(2-hydroxyethyl)urea
SMILESO=C(NC=C1CCCC1)N(CCO)CCO
InChIInChI=1S/C11H20N2O3/c14-7-5-13(6-8-15)11(16)12-9-10-3-1-2-4-10/h9,14-15H,1-8H2,(H,12,16)
InChIKeyOZIHYLYVLXSRAJ-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.44
Rot. Bonds5

About 3-(cyclopentylidenemethyl)-1,1-bis(2-hydroxyethyl)urea

3-(cyclopentylidenemethyl)-1,1-bis(2-hydroxyethyl)urea (PubChem CID 108913503) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is 3-(cyclopentylidenemethyl)-1,1-bis(2-hydroxyethyl)urea.

Molecular Properties

Compound Name3-(cyclopentylidenemethyl)-1,1-bis(2-hydroxyethyl)urea
PubChem CID108913503
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Name3-(cyclopentylidenemethyl)-1,1-bis(2-hydroxyethyl)urea
SMILESO=C(NC=C1CCCC1)N(CCO)CCO
InChIInChI=1S/C11H20N2O3/c14-7-5-13(6-8-15)11(16)12-9-10-3-1-2-4-10/h9,14-15H,1-8H2,(H,12,16)
InChIKeyOZIHYLYVLXSRAJ-UHFFFAOYSA-N
XLogP0.44
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylidenemethyl)-1,1-bis(2-hydroxyethyl)urea?
The IUPAC name of 3-(cyclopentylidenemethyl)-1,1-bis(2-hydroxyethyl)urea (CID 108913503) is 3-(cyclopentylidenemethyl)-1,1-bis(2-hydroxyethyl)urea.
What is the SMILES notation for 3-(cyclopentylidenemethyl)-1,1-bis(2-hydroxyethyl)urea?
The canonical SMILES for 3-(cyclopentylidenemethyl)-1,1-bis(2-hydroxyethyl)urea is O=C(NC=C1CCCC1)N(CCO)CCO.
What is the InChIKey of 3-(cyclopentylidenemethyl)-1,1-bis(2-hydroxyethyl)urea?
The InChIKey is OZIHYLYVLXSRAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c14-7-5-13(6-8-15)11(16)12-9-10-3-1-2-4-10/h9,14-15H,1-8H2,(H,12,16).
What are the key properties of 3-(cyclopentylidenemethyl)-1,1-bis(2-hydroxyethyl)urea?
3-(cyclopentylidenemethyl)-1,1-bis(2-hydroxyethyl)urea has a molecular weight of 228.29 g/mol, XLogP of 0.44, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylidenemethyl)-1,1-bis(2-hydroxyethyl)urea is sourced from PubChem (CID 108913503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).