1,1-bis(2-hydroxyethyl)-3-prop-1-en-2-ylurea

C8H16N2O3 — CID 108910202

IUPAC1,1-bis(2-hydroxyethyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)N(CCO)CCO
InChIInChI=1S/C8H16N2O3/c1-7(2)9-8(13)10(3-5-11)4-6-12/h11-12H,1,3-6H2,2H3,(H,9,13)
InChIKeyCHSVLGLKAYGFLI-UHFFFAOYSA-N
MW188.23 g/mol
LogP-0.48
Rot. Bonds5

About 1,1-bis(2-hydroxyethyl)-3-prop-1-en-2-ylurea

1,1-bis(2-hydroxyethyl)-3-prop-1-en-2-ylurea (PubChem CID 108910202) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1,1-bis(2-hydroxyethyl)-3-prop-1-en-2-ylurea.

Molecular Properties

Compound Name1,1-bis(2-hydroxyethyl)-3-prop-1-en-2-ylurea
PubChem CID108910202
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name1,1-bis(2-hydroxyethyl)-3-prop-1-en-2-ylurea
SMILESC=C(C)NC(=O)N(CCO)CCO
InChIInChI=1S/C8H16N2O3/c1-7(2)9-8(13)10(3-5-11)4-6-12/h11-12H,1,3-6H2,2H3,(H,9,13)
InChIKeyCHSVLGLKAYGFLI-UHFFFAOYSA-N
XLogP-0.48
TPSA72.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-bis(2-hydroxyethyl)-3-prop-1-en-2-ylurea?
The IUPAC name of 1,1-bis(2-hydroxyethyl)-3-prop-1-en-2-ylurea (CID 108910202) is 1,1-bis(2-hydroxyethyl)-3-prop-1-en-2-ylurea.
What is the SMILES notation for 1,1-bis(2-hydroxyethyl)-3-prop-1-en-2-ylurea?
The canonical SMILES for 1,1-bis(2-hydroxyethyl)-3-prop-1-en-2-ylurea is C=C(C)NC(=O)N(CCO)CCO.
What is the InChIKey of 1,1-bis(2-hydroxyethyl)-3-prop-1-en-2-ylurea?
The InChIKey is CHSVLGLKAYGFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-7(2)9-8(13)10(3-5-11)4-6-12/h11-12H,1,3-6H2,2H3,(H,9,13).
What are the key properties of 1,1-bis(2-hydroxyethyl)-3-prop-1-en-2-ylurea?
1,1-bis(2-hydroxyethyl)-3-prop-1-en-2-ylurea has a molecular weight of 188.23 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(2-hydroxyethyl)-3-prop-1-en-2-ylurea is sourced from PubChem (CID 108910202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).