1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol;urea

C11H23N3O3 — CID 23497910

IUPAC1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol;urea
SMILESC=CCOCC(O)CNC(C)C=C.NC(N)=O
InChIInChI=1S/C10H19NO2.CH4N2O/c1-4-6-13-8-10(12)7-11-9(3)5-2;2-1(3)4/h4-5,9-12H,1-2,6-8H2,3H3;(H4,2,3,4)
InChIKeyXNEIQYHWTPSYFJ-UHFFFAOYSA-N
MW245.32 g/mol
LogP-0.26
Rot. Bonds8

About 1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol;urea

1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol;urea (PubChem CID 23497910) has the molecular formula C11H23N3O3 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol;urea.

Molecular Properties

Compound Name1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol;urea
PubChem CID23497910
Molecular FormulaC11H23N3O3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC Name1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol;urea
SMILESC=CCOCC(O)CNC(C)C=C.NC(N)=O
InChIInChI=1S/C10H19NO2.CH4N2O/c1-4-6-13-8-10(12)7-11-9(3)5-2;2-1(3)4/h4-5,9-12H,1-2,6-8H2,3H3;(H4,2,3,4)
InChIKeyXNEIQYHWTPSYFJ-UHFFFAOYSA-N
XLogP-0.26
TPSA110.60 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol;urea?
The IUPAC name of 1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol;urea (CID 23497910) is 1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol;urea.
What is the SMILES notation for 1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol;urea?
The canonical SMILES for 1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol;urea is C=CCOCC(O)CNC(C)C=C.NC(N)=O.
What is the InChIKey of 1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol;urea?
The InChIKey is XNEIQYHWTPSYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2.CH4N2O/c1-4-6-13-8-10(12)7-11-9(3)5-2;2-1(3)4/h4-5,9-12H,1-2,6-8H2,3H3;(H4,2,3,4).
What are the key properties of 1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol;urea?
1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol;urea has a molecular weight of 245.32 g/mol, XLogP of -0.26, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(but-3-en-2-ylamino)-3-prop-2-enoxypropan-2-ol;urea is sourced from PubChem (CID 23497910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).