4-(2-pyrrol-1-ylethyl)morpholine

C10H16N2O — CID 43394754

IUPAC4-(2-pyrrol-1-ylethyl)morpholine
SMILESc1ccn(CCN2CCOCC2)c1
InChIInChI=1S/C10H16N2O/c1-2-4-11(3-1)5-6-12-7-9-13-10-8-12/h1-4H,5-10H2
InChIKeySRUIOQHJICBYAF-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.82
Rot. Bonds3

About 4-(2-pyrrol-1-ylethyl)morpholine

4-(2-pyrrol-1-ylethyl)morpholine (PubChem CID 43394754) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-(2-pyrrol-1-ylethyl)morpholine.

Molecular Properties

Compound Name4-(2-pyrrol-1-ylethyl)morpholine
PubChem CID43394754
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-(2-pyrrol-1-ylethyl)morpholine
SMILESc1ccn(CCN2CCOCC2)c1
InChIInChI=1S/C10H16N2O/c1-2-4-11(3-1)5-6-12-7-9-13-10-8-12/h1-4H,5-10H2
InChIKeySRUIOQHJICBYAF-UHFFFAOYSA-N
XLogP0.82
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-pyrrol-1-ylethyl)morpholine?
The IUPAC name of 4-(2-pyrrol-1-ylethyl)morpholine (CID 43394754) is 4-(2-pyrrol-1-ylethyl)morpholine.
What is the SMILES notation for 4-(2-pyrrol-1-ylethyl)morpholine?
The canonical SMILES for 4-(2-pyrrol-1-ylethyl)morpholine is c1ccn(CCN2CCOCC2)c1.
What is the InChIKey of 4-(2-pyrrol-1-ylethyl)morpholine?
The InChIKey is SRUIOQHJICBYAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-2-4-11(3-1)5-6-12-7-9-13-10-8-12/h1-4H,5-10H2.
What are the key properties of 4-(2-pyrrol-1-ylethyl)morpholine?
4-(2-pyrrol-1-ylethyl)morpholine has a molecular weight of 180.25 g/mol, XLogP of 0.82, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-pyrrol-1-ylethyl)morpholine is sourced from PubChem (CID 43394754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).