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

C8H16N2O3 — CID 108909462

IUPAC1,1-bis(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)N(CCO)CCO
InChIInChI=1S/C8H16N2O3/c1-2-3-9-8(13)10(4-6-11)5-7-12/h2-3,11-12H,4-7H2,1H3,(H,9,13)/b3-2+
InChIKeyMJTAKSLVNQGHCY-NSCUHMNNSA-N
MW188.23 g/mol
LogP-0.48
Rot. Bonds5

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

1,1-bis(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea (PubChem CID 108909462) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is 1,1-bis(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea.

Molecular Properties

Compound Name1,1-bis(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea
PubChem CID108909462
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name1,1-bis(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea
SMILESC/C=C/NC(=O)N(CCO)CCO
InChIInChI=1S/C8H16N2O3/c1-2-3-9-8(13)10(4-6-11)5-7-12/h2-3,11-12H,4-7H2,1H3,(H,9,13)/b3-2+
InChIKeyMJTAKSLVNQGHCY-NSCUHMNNSA-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-[(E)-prop-1-enyl]urea?
The IUPAC name of 1,1-bis(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea (CID 108909462) is 1,1-bis(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea.
What is the SMILES notation for 1,1-bis(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea?
The canonical SMILES for 1,1-bis(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea is C/C=C/NC(=O)N(CCO)CCO.
What is the InChIKey of 1,1-bis(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea?
The InChIKey is MJTAKSLVNQGHCY-NSCUHMNNSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-2-3-9-8(13)10(4-6-11)5-7-12/h2-3,11-12H,4-7H2,1H3,(H,9,13)/b3-2+.
What are the key properties of 1,1-bis(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea?
1,1-bis(2-hydroxyethyl)-3-[(E)-prop-1-enyl]urea 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-[(E)-prop-1-enyl]urea is sourced from PubChem (CID 108909462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).