4-[(1S,2S)-1-indolizin-2-yl-2-phenylcyclopropyl]morpholine

C21H22N2O — CID 146166337

IUPAC4-[(1S,2S)-1-indolizin-2-yl-2-phenylcyclopropyl]morpholine
SMILESc1ccc([C@@H]2C[C@]2(c2cc3ccccn3c2)N2CCOCC2)cc1
InChIInChI=1S/C21H22N2O/c1-2-6-17(7-3-1)20-15-21(20,23-10-12-24-13-11-23)18-14-19-8-4-5-9-22(19)16-18/h1-9,14,16,20H,10-13,15H2/t20-,21+/m0/s1
InChIKeyYSEOKCHAQDBEGK-LEWJYISDSA-N
MW318.42 g/mol
LogP3.65
Rot. Bonds3

About 4-[(1S,2S)-1-indolizin-2-yl-2-phenylcyclopropyl]morpholine

4-[(1S,2S)-1-indolizin-2-yl-2-phenylcyclopropyl]morpholine (PubChem CID 146166337) has the molecular formula C21H22N2O and a molecular weight of 318.42 g/mol. Its IUPAC name is 4-[(1S,2S)-1-indolizin-2-yl-2-phenylcyclopropyl]morpholine.

Molecular Properties

Compound Name4-[(1S,2S)-1-indolizin-2-yl-2-phenylcyclopropyl]morpholine
PubChem CID146166337
Molecular FormulaC21H22N2O
Molecular Weight318.42 g/mol
Exact Mass318.17
IUPAC Name4-[(1S,2S)-1-indolizin-2-yl-2-phenylcyclopropyl]morpholine
SMILESc1ccc([C@@H]2C[C@]2(c2cc3ccccn3c2)N2CCOCC2)cc1
InChIInChI=1S/C21H22N2O/c1-2-6-17(7-3-1)20-15-21(20,23-10-12-24-13-11-23)18-14-19-8-4-5-9-22(19)16-18/h1-9,14,16,20H,10-13,15H2/t20-,21+/m0/s1
InChIKeyYSEOKCHAQDBEGK-LEWJYISDSA-N
XLogP3.65
TPSA16.88 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1S,2S)-1-indolizin-2-yl-2-phenylcyclopropyl]morpholine?
The IUPAC name of 4-[(1S,2S)-1-indolizin-2-yl-2-phenylcyclopropyl]morpholine (CID 146166337) is 4-[(1S,2S)-1-indolizin-2-yl-2-phenylcyclopropyl]morpholine.
What is the SMILES notation for 4-[(1S,2S)-1-indolizin-2-yl-2-phenylcyclopropyl]morpholine?
The canonical SMILES for 4-[(1S,2S)-1-indolizin-2-yl-2-phenylcyclopropyl]morpholine is c1ccc([C@@H]2C[C@]2(c2cc3ccccn3c2)N2CCOCC2)cc1.
What is the InChIKey of 4-[(1S,2S)-1-indolizin-2-yl-2-phenylcyclopropyl]morpholine?
The InChIKey is YSEOKCHAQDBEGK-LEWJYISDSA-N. The full InChI is InChI=1S/C21H22N2O/c1-2-6-17(7-3-1)20-15-21(20,23-10-12-24-13-11-23)18-14-19-8-4-5-9-22(19)16-18/h1-9,14,16,20H,10-13,15H2/t20-,21+/m0/s1.
What are the key properties of 4-[(1S,2S)-1-indolizin-2-yl-2-phenylcyclopropyl]morpholine?
4-[(1S,2S)-1-indolizin-2-yl-2-phenylcyclopropyl]morpholine has a molecular weight of 318.42 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S,2S)-1-indolizin-2-yl-2-phenylcyclopropyl]morpholine is sourced from PubChem (CID 146166337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).