1-ethyl-3-[2-(1-hydroxyprop-2-enylamino)ethyl]urea

C8H17N3O2 — CID 137383807

IUPAC1-ethyl-3-[2-(1-hydroxyprop-2-enylamino)ethyl]urea
SMILESC=CC(O)NCCNC(=O)NCC
InChIInChI=1S/C8H17N3O2/c1-3-7(12)10-5-6-11-8(13)9-4-2/h3,7,10,12H,1,4-6H2,2H3,(H2,9,11,13)
InChIKeyPDEQFQDEJPESGL-UHFFFAOYSA-N
MW187.24 g/mol
LogP-0.60
Rot. Bonds6

About 1-ethyl-3-[2-(1-hydroxyprop-2-enylamino)ethyl]urea

1-ethyl-3-[2-(1-hydroxyprop-2-enylamino)ethyl]urea (PubChem CID 137383807) has the molecular formula C8H17N3O2 and a molecular weight of 187.24 g/mol. Its IUPAC name is 1-ethyl-3-[2-(1-hydroxyprop-2-enylamino)ethyl]urea.

Molecular Properties

Compound Name1-ethyl-3-[2-(1-hydroxyprop-2-enylamino)ethyl]urea
PubChem CID137383807
Molecular FormulaC8H17N3O2
Molecular Weight187.24 g/mol
Exact Mass187.13
IUPAC Name1-ethyl-3-[2-(1-hydroxyprop-2-enylamino)ethyl]urea
SMILESC=CC(O)NCCNC(=O)NCC
InChIInChI=1S/C8H17N3O2/c1-3-7(12)10-5-6-11-8(13)9-4-2/h3,7,10,12H,1,4-6H2,2H3,(H2,9,11,13)
InChIKeyPDEQFQDEJPESGL-UHFFFAOYSA-N
XLogP-0.60
TPSA73.39 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-ethyl-3-[2-(1-hydroxyprop-2-enylamino)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(1-hydroxyprop-2-enylamino)ethyl]urea?
The IUPAC name of 1-ethyl-3-[2-(1-hydroxyprop-2-enylamino)ethyl]urea (CID 137383807) is 1-ethyl-3-[2-(1-hydroxyprop-2-enylamino)ethyl]urea.
What is the SMILES notation for 1-ethyl-3-[2-(1-hydroxyprop-2-enylamino)ethyl]urea?
The canonical SMILES for 1-ethyl-3-[2-(1-hydroxyprop-2-enylamino)ethyl]urea is C=CC(O)NCCNC(=O)NCC.
What is the InChIKey of 1-ethyl-3-[2-(1-hydroxyprop-2-enylamino)ethyl]urea?
The InChIKey is PDEQFQDEJPESGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O2/c1-3-7(12)10-5-6-11-8(13)9-4-2/h3,7,10,12H,1,4-6H2,2H3,(H2,9,11,13).
What are the key properties of 1-ethyl-3-[2-(1-hydroxyprop-2-enylamino)ethyl]urea?
1-ethyl-3-[2-(1-hydroxyprop-2-enylamino)ethyl]urea has a molecular weight of 187.24 g/mol, XLogP of -0.60, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(1-hydroxyprop-2-enylamino)ethyl]urea is sourced from PubChem (CID 137383807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).