1-cyclopropyl-3-(2-morpholin-4-ylethyl)-1-prop-2-enylurea

C13H23N3O2 — CID 75440963

IUPAC1-cyclopropyl-3-(2-morpholin-4-ylethyl)-1-prop-2-enylurea
SMILESC=CCN(C(=O)NCCN1CCOCC1)C1CC1
InChIInChI=1S/C13H23N3O2/c1-2-6-16(12-3-4-12)13(17)14-5-7-15-8-10-18-11-9-15/h2,12H,1,3-11H2,(H,14,17)
InChIKeySMWUOBYDKDRJIJ-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.68
Rot. Bonds6

About 1-cyclopropyl-3-(2-morpholin-4-ylethyl)-1-prop-2-enylurea

1-cyclopropyl-3-(2-morpholin-4-ylethyl)-1-prop-2-enylurea (PubChem CID 75440963) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-(2-morpholin-4-ylethyl)-1-prop-2-enylurea.

Molecular Properties

Compound Name1-cyclopropyl-3-(2-morpholin-4-ylethyl)-1-prop-2-enylurea
PubChem CID75440963
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name1-cyclopropyl-3-(2-morpholin-4-ylethyl)-1-prop-2-enylurea
SMILESC=CCN(C(=O)NCCN1CCOCC1)C1CC1
InChIInChI=1S/C13H23N3O2/c1-2-6-16(12-3-4-12)13(17)14-5-7-15-8-10-18-11-9-15/h2,12H,1,3-11H2,(H,14,17)
InChIKeySMWUOBYDKDRJIJ-UHFFFAOYSA-N
XLogP0.68
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.68
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-cyclopropyl-3-(2-morpholin-4-ylethyl)-1-prop-2-enylurea?
The IUPAC name of 1-cyclopropyl-3-(2-morpholin-4-ylethyl)-1-prop-2-enylurea (CID 75440963) is 1-cyclopropyl-3-(2-morpholin-4-ylethyl)-1-prop-2-enylurea.
What is the SMILES notation for 1-cyclopropyl-3-(2-morpholin-4-ylethyl)-1-prop-2-enylurea?
The canonical SMILES for 1-cyclopropyl-3-(2-morpholin-4-ylethyl)-1-prop-2-enylurea is C=CCN(C(=O)NCCN1CCOCC1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-(2-morpholin-4-ylethyl)-1-prop-2-enylurea?
The InChIKey is SMWUOBYDKDRJIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-2-6-16(12-3-4-12)13(17)14-5-7-15-8-10-18-11-9-15/h2,12H,1,3-11H2,(H,14,17).
What are the key properties of 1-cyclopropyl-3-(2-morpholin-4-ylethyl)-1-prop-2-enylurea?
1-cyclopropyl-3-(2-morpholin-4-ylethyl)-1-prop-2-enylurea has a molecular weight of 253.35 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(2-morpholin-4-ylethyl)-1-prop-2-enylurea is sourced from PubChem (CID 75440963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).