4-(1-phenylindolizin-3-yl)morpholine

C18H18N2O — CID 12946097

IUPAC4-(1-phenylindolizin-3-yl)morpholine
SMILESc1ccc(-c2cc(N3CCOCC3)n3ccccc23)cc1
InChIInChI=1S/C18H18N2O/c1-2-6-15(7-3-1)16-14-18(19-10-12-21-13-11-19)20-9-5-4-8-17(16)20/h1-9,14H,10-13H2
InChIKeyWWGSOWGHVCMKIE-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.44
Rot. Bonds2

About 4-(1-phenylindolizin-3-yl)morpholine

4-(1-phenylindolizin-3-yl)morpholine (PubChem CID 12946097) has the molecular formula C18H18N2O and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-(1-phenylindolizin-3-yl)morpholine.

Molecular Properties

Compound Name4-(1-phenylindolizin-3-yl)morpholine
PubChem CID12946097
Molecular FormulaC18H18N2O
Molecular Weight278.36 g/mol
Exact Mass278.14
IUPAC Name4-(1-phenylindolizin-3-yl)morpholine
SMILESc1ccc(-c2cc(N3CCOCC3)n3ccccc23)cc1
InChIInChI=1S/C18H18N2O/c1-2-6-15(7-3-1)16-14-18(19-10-12-21-13-11-19)20-9-5-4-8-17(16)20/h1-9,14H,10-13H2
InChIKeyWWGSOWGHVCMKIE-UHFFFAOYSA-N
XLogP3.44
TPSA16.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylindolizin-3-yl)morpholine?
The IUPAC name of 4-(1-phenylindolizin-3-yl)morpholine (CID 12946097) is 4-(1-phenylindolizin-3-yl)morpholine.
What is the SMILES notation for 4-(1-phenylindolizin-3-yl)morpholine?
The canonical SMILES for 4-(1-phenylindolizin-3-yl)morpholine is c1ccc(-c2cc(N3CCOCC3)n3ccccc23)cc1.
What is the InChIKey of 4-(1-phenylindolizin-3-yl)morpholine?
The InChIKey is WWGSOWGHVCMKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-2-6-15(7-3-1)16-14-18(19-10-12-21-13-11-19)20-9-5-4-8-17(16)20/h1-9,14H,10-13H2.
What are the key properties of 4-(1-phenylindolizin-3-yl)morpholine?
4-(1-phenylindolizin-3-yl)morpholine has a molecular weight of 278.36 g/mol, XLogP of 3.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylindolizin-3-yl)morpholine is sourced from PubChem (CID 12946097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).