4-(4-pyrrol-1-ylphenyl)morpholine

C14H16N2O — CID 882019

IUPAC4-(4-pyrrol-1-ylphenyl)morpholine
SMILESc1ccn(-c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C14H16N2O/c1-2-8-15(7-1)13-3-5-14(6-4-13)16-9-11-17-12-10-16/h1-8H,9-12H2
InChIKeyVJGOAQUQJGASLY-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.31
Rot. Bonds2

About 4-(4-pyrrol-1-ylphenyl)morpholine

4-(4-pyrrol-1-ylphenyl)morpholine (PubChem CID 882019) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is 4-(4-pyrrol-1-ylphenyl)morpholine.

Molecular Properties

Compound Name4-(4-pyrrol-1-ylphenyl)morpholine
PubChem CID882019
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC Name4-(4-pyrrol-1-ylphenyl)morpholine
SMILESc1ccn(-c2ccc(N3CCOCC3)cc2)c1
InChIInChI=1S/C14H16N2O/c1-2-8-15(7-1)13-3-5-14(6-4-13)16-9-11-17-12-10-16/h1-8H,9-12H2
InChIKeyVJGOAQUQJGASLY-UHFFFAOYSA-N
XLogP2.31
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrrol-1-ylphenyl)morpholine?
The IUPAC name of 4-(4-pyrrol-1-ylphenyl)morpholine (CID 882019) is 4-(4-pyrrol-1-ylphenyl)morpholine.
What is the SMILES notation for 4-(4-pyrrol-1-ylphenyl)morpholine?
The canonical SMILES for 4-(4-pyrrol-1-ylphenyl)morpholine is c1ccn(-c2ccc(N3CCOCC3)cc2)c1.
What is the InChIKey of 4-(4-pyrrol-1-ylphenyl)morpholine?
The InChIKey is VJGOAQUQJGASLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-8-15(7-1)13-3-5-14(6-4-13)16-9-11-17-12-10-16/h1-8H,9-12H2.
What are the key properties of 4-(4-pyrrol-1-ylphenyl)morpholine?
4-(4-pyrrol-1-ylphenyl)morpholine has a molecular weight of 228.30 g/mol, XLogP of 2.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrrol-1-ylphenyl)morpholine is sourced from PubChem (CID 882019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).