4-(1-methylimidazol-2-yl)morpholine

C8H13N3O — CID 13034373

IUPAC4-(1-methylimidazol-2-yl)morpholine
SMILESCn1ccnc1N1CCOCC1
InChIInChI=1S/C8H13N3O/c1-10-3-2-9-8(10)11-4-6-12-7-5-11/h2-3H,4-7H2,1H3
InChIKeyNKKJWUMVFVOEIN-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.26
Rot. Bonds1

About 4-(1-methylimidazol-2-yl)morpholine

4-(1-methylimidazol-2-yl)morpholine (PubChem CID 13034373) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 4-(1-methylimidazol-2-yl)morpholine.

Molecular Properties

Compound Name4-(1-methylimidazol-2-yl)morpholine
PubChem CID13034373
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name4-(1-methylimidazol-2-yl)morpholine
SMILESCn1ccnc1N1CCOCC1
InChIInChI=1S/C8H13N3O/c1-10-3-2-9-8(10)11-4-6-12-7-5-11/h2-3H,4-7H2,1H3
InChIKeyNKKJWUMVFVOEIN-UHFFFAOYSA-N
XLogP0.26
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1-methylimidazol-2-yl)morpholine?
The IUPAC name of 4-(1-methylimidazol-2-yl)morpholine (CID 13034373) is 4-(1-methylimidazol-2-yl)morpholine.
What is the SMILES notation for 4-(1-methylimidazol-2-yl)morpholine?
The canonical SMILES for 4-(1-methylimidazol-2-yl)morpholine is Cn1ccnc1N1CCOCC1.
What is the InChIKey of 4-(1-methylimidazol-2-yl)morpholine?
The InChIKey is NKKJWUMVFVOEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-10-3-2-9-8(10)11-4-6-12-7-5-11/h2-3H,4-7H2,1H3.
What are the key properties of 4-(1-methylimidazol-2-yl)morpholine?
4-(1-methylimidazol-2-yl)morpholine has a molecular weight of 167.21 g/mol, XLogP of 0.26, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylimidazol-2-yl)morpholine is sourced from PubChem (CID 13034373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).