2-(diethylamino)prop-2-enylurea

C8H17N3O — CID 20522159

IUPAC2-(diethylamino)prop-2-enylurea
SMILESC=C(CNC(N)=O)N(CC)CC
InChIInChI=1S/C8H17N3O/c1-4-11(5-2)7(3)6-10-8(9)12/h3-6H2,1-2H3,(H3,9,10,12)
InChIKeyPDUHZAOYPZUXIR-UHFFFAOYSA-N
MW171.24 g/mol
LogP0.51
Rot. Bonds5

About 2-(diethylamino)prop-2-enylurea

2-(diethylamino)prop-2-enylurea (PubChem CID 20522159) has the molecular formula C8H17N3O and a molecular weight of 171.24 g/mol. Its IUPAC name is 2-(diethylamino)prop-2-enylurea.

Molecular Properties

Compound Name2-(diethylamino)prop-2-enylurea
PubChem CID20522159
Molecular FormulaC8H17N3O
Molecular Weight171.24 g/mol
Exact Mass171.14
IUPAC Name2-(diethylamino)prop-2-enylurea
SMILESC=C(CNC(N)=O)N(CC)CC
InChIInChI=1S/C8H17N3O/c1-4-11(5-2)7(3)6-10-8(9)12/h3-6H2,1-2H3,(H3,9,10,12)
InChIKeyPDUHZAOYPZUXIR-UHFFFAOYSA-N
XLogP0.51
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)prop-2-enylurea?
The IUPAC name of 2-(diethylamino)prop-2-enylurea (CID 20522159) is 2-(diethylamino)prop-2-enylurea.
What is the SMILES notation for 2-(diethylamino)prop-2-enylurea?
The canonical SMILES for 2-(diethylamino)prop-2-enylurea is C=C(CNC(N)=O)N(CC)CC.
What is the InChIKey of 2-(diethylamino)prop-2-enylurea?
The InChIKey is PDUHZAOYPZUXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N3O/c1-4-11(5-2)7(3)6-10-8(9)12/h3-6H2,1-2H3,(H3,9,10,12).
What are the key properties of 2-(diethylamino)prop-2-enylurea?
2-(diethylamino)prop-2-enylurea has a molecular weight of 171.24 g/mol, XLogP of 0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)prop-2-enylurea is sourced from PubChem (CID 20522159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).