4-(pyrrol-1-ylmethyl)morpholine

C9H14N2O — CID 14983416

IUPAC4-(pyrrol-1-ylmethyl)morpholine
SMILESc1ccn(CN2CCOCC2)c1
InChIInChI=1S/C9H14N2O/c1-2-4-10(3-1)9-11-5-7-12-8-6-11/h1-4H,5-9H2
InChIKeyOCUUOMAKYHZIEJ-UHFFFAOYSA-N
MW166.22 g/mol
LogP0.78
Rot. Bonds2

About 4-(pyrrol-1-ylmethyl)morpholine

4-(pyrrol-1-ylmethyl)morpholine (PubChem CID 14983416) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 4-(pyrrol-1-ylmethyl)morpholine.

Molecular Properties

Compound Name4-(pyrrol-1-ylmethyl)morpholine
PubChem CID14983416
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name4-(pyrrol-1-ylmethyl)morpholine
SMILESc1ccn(CN2CCOCC2)c1
InChIInChI=1S/C9H14N2O/c1-2-4-10(3-1)9-11-5-7-12-8-6-11/h1-4H,5-9H2
InChIKeyOCUUOMAKYHZIEJ-UHFFFAOYSA-N
XLogP0.78
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(pyrrol-1-ylmethyl)morpholine?
The IUPAC name of 4-(pyrrol-1-ylmethyl)morpholine (CID 14983416) is 4-(pyrrol-1-ylmethyl)morpholine.
What is the SMILES notation for 4-(pyrrol-1-ylmethyl)morpholine?
The canonical SMILES for 4-(pyrrol-1-ylmethyl)morpholine is c1ccn(CN2CCOCC2)c1.
What is the InChIKey of 4-(pyrrol-1-ylmethyl)morpholine?
The InChIKey is OCUUOMAKYHZIEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-2-4-10(3-1)9-11-5-7-12-8-6-11/h1-4H,5-9H2.
What are the key properties of 4-(pyrrol-1-ylmethyl)morpholine?
4-(pyrrol-1-ylmethyl)morpholine has a molecular weight of 166.22 g/mol, XLogP of 0.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(pyrrol-1-ylmethyl)morpholine is sourced from PubChem (CID 14983416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).