1,1-dimethyl-3-morpholin-4-ylurea

C7H15N3O2 — CID 116657343

IUPAC1,1-dimethyl-3-morpholin-4-ylurea
SMILESCN(C)C(=O)NN1CCOCC1
InChIInChI=1S/C7H15N3O2/c1-9(2)7(11)8-10-3-5-12-6-4-10/h3-6H2,1-2H3,(H,8,11)
InChIKeyIDDZAWHPJBJLCM-UHFFFAOYSA-N
MW173.22 g/mol
LogP-0.50
Rot. Bonds1

About 1,1-dimethyl-3-morpholin-4-ylurea

1,1-dimethyl-3-morpholin-4-ylurea (PubChem CID 116657343) has the molecular formula C7H15N3O2 and a molecular weight of 173.22 g/mol. Its IUPAC name is 1,1-dimethyl-3-morpholin-4-ylurea.

Molecular Properties

Compound Name1,1-dimethyl-3-morpholin-4-ylurea
PubChem CID116657343
Molecular FormulaC7H15N3O2
Molecular Weight173.22 g/mol
Exact Mass173.12
IUPAC Name1,1-dimethyl-3-morpholin-4-ylurea
SMILESCN(C)C(=O)NN1CCOCC1
InChIInChI=1S/C7H15N3O2/c1-9(2)7(11)8-10-3-5-12-6-4-10/h3-6H2,1-2H3,(H,8,11)
InChIKeyIDDZAWHPJBJLCM-UHFFFAOYSA-N
XLogP-0.50
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.22
LogP ≤ 5-0.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-morpholin-4-ylurea?
The IUPAC name of 1,1-dimethyl-3-morpholin-4-ylurea (CID 116657343) is 1,1-dimethyl-3-morpholin-4-ylurea.
What is the SMILES notation for 1,1-dimethyl-3-morpholin-4-ylurea?
The canonical SMILES for 1,1-dimethyl-3-morpholin-4-ylurea is CN(C)C(=O)NN1CCOCC1.
What is the InChIKey of 1,1-dimethyl-3-morpholin-4-ylurea?
The InChIKey is IDDZAWHPJBJLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N3O2/c1-9(2)7(11)8-10-3-5-12-6-4-10/h3-6H2,1-2H3,(H,8,11).
What are the key properties of 1,1-dimethyl-3-morpholin-4-ylurea?
1,1-dimethyl-3-morpholin-4-ylurea has a molecular weight of 173.22 g/mol, XLogP of -0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-morpholin-4-ylurea is sourced from PubChem (CID 116657343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).