1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]-1-prop-2-enylurea

C12H23N3O2 — CID 91649762

IUPAC1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)NC(C)C1CN(C)CCO1
InChIInChI=1S/C12H23N3O2/c1-5-6-15(4)12(16)13-10(2)11-9-14(3)7-8-17-11/h5,10-11H,1,6-9H2,2-4H3,(H,13,16)
InChIKeyHEAPRBFICXDFGQ-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.53
Rot. Bonds4

About 1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]-1-prop-2-enylurea

1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]-1-prop-2-enylurea (PubChem CID 91649762) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]-1-prop-2-enylurea.

Molecular Properties

Compound Name1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]-1-prop-2-enylurea
PubChem CID91649762
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]-1-prop-2-enylurea
SMILESC=CCN(C)C(=O)NC(C)C1CN(C)CCO1
InChIInChI=1S/C12H23N3O2/c1-5-6-15(4)12(16)13-10(2)11-9-14(3)7-8-17-11/h5,10-11H,1,6-9H2,2-4H3,(H,13,16)
InChIKeyHEAPRBFICXDFGQ-UHFFFAOYSA-N
XLogP0.53
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]-1-prop-2-enylurea?
The IUPAC name of 1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]-1-prop-2-enylurea (CID 91649762) is 1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]-1-prop-2-enylurea.
What is the SMILES notation for 1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]-1-prop-2-enylurea?
The canonical SMILES for 1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]-1-prop-2-enylurea is C=CCN(C)C(=O)NC(C)C1CN(C)CCO1.
What is the InChIKey of 1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]-1-prop-2-enylurea?
The InChIKey is HEAPRBFICXDFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-5-6-15(4)12(16)13-10(2)11-9-14(3)7-8-17-11/h5,10-11H,1,6-9H2,2-4H3,(H,13,16).
What are the key properties of 1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]-1-prop-2-enylurea?
1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]-1-prop-2-enylurea has a molecular weight of 241.33 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(4-methylmorpholin-2-yl)ethyl]-1-prop-2-enylurea is sourced from PubChem (CID 91649762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).