(3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea

C7H14N2O3 — CID 141038532

IUPAC(3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea
SMILESC/C=N/C(=O)N(C(C)O)C(C)O
InChIInChI=1S/C7H14N2O3/c1-4-8-7(12)9(5(2)10)6(3)11/h4-6,10-11H,1-3H3/b8-4+
InChIKeyYKWDTIKTIPORAC-XBXARRHUSA-N
MW174.20 g/mol
LogP0.18
Rot. Bonds2

About (3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea

(3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea (PubChem CID 141038532) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is (3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea.

Molecular Properties

Compound Name(3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea
PubChem CID141038532
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name(3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea
SMILESC/C=N/C(=O)N(C(C)O)C(C)O
InChIInChI=1S/C7H14N2O3/c1-4-8-7(12)9(5(2)10)6(3)11/h4-6,10-11H,1-3H3/b8-4+
InChIKeyYKWDTIKTIPORAC-XBXARRHUSA-N
XLogP0.18
TPSA73.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[[(E)-ethylidenecarbamoyl]-(1-prop-2-enoyloxyethyl)amino]ethyl prop-2-enoate
CID 141038512
1-(1-aminoethyl)-1-ethenyl-3-ethylideneurea
CID 141047446
N,N-bis(1-hydroxyethyl)prop-2-enamide
CID 22665003
N,N-bis(1-hydroxyethyl)carbamate
CID 23322200
acetic acid;1,1-diamino-3-ethylideneurea
CID 175316946
1-(2,2-dihydroxyethylidene)-3-ethylideneurea
CID 141148966
1-amino-1-ethyl-3-ethylideneurea
CID 151956805
1-ethenyl-1-ethyl-3-ethylideneurea
CID 141081531
1-ethenyl-3-ethylidene-1-propylurea
CID 91114731
(2S)-2-(ethylideneamino)propanoic acid
CID 45086561
1-(1-aminoethyl)-3-ethylidene-1-(2-hydroxy-3-prop-2-enoxypropyl)urea;ethylideneurea
CID 174676687
ethylideneurea;sulfurous acid
CID 174973219

Frequently Asked Questions

What is the IUPAC name of (3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea?
The IUPAC name of (3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea (CID 141038532) is (3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea.
What is the SMILES notation for (3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea?
The canonical SMILES for (3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea is C/C=N/C(=O)N(C(C)O)C(C)O.
What is the InChIKey of (3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea?
The InChIKey is YKWDTIKTIPORAC-XBXARRHUSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-4-8-7(12)9(5(2)10)6(3)11/h4-6,10-11H,1-3H3/b8-4+.
What are the key properties of (3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea?
(3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea has a molecular weight of 174.20 g/mol, XLogP of 0.18, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-ethylidene-1,1-bis(1-hydroxyethyl)urea is sourced from PubChem (CID 141038532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).