3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one

C17H23ClN2O2 — CID 95556719

IUPAC3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCO[C@H](c2ccc(Cl)cc2)C1)N1CCCC1
InChIInChI=1S/C17H23ClN2O2/c18-15-5-3-14(4-6-15)16-13-19(11-12-22-16)10-7-17(21)20-8-1-2-9-20/h3-6,16H,1-2,7-13H2/t16-/m0/s1
InChIKeySMRFTJZBDKCNAV-INIZCTEOSA-N
MW322.84 g/mol
LogP2.73
Rot. Bonds4

About 3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one

3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 95556719) has the molecular formula C17H23ClN2O2 and a molecular weight of 322.84 g/mol. Its IUPAC name is 3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID95556719
Molecular FormulaC17H23ClN2O2
Molecular Weight322.84 g/mol
Exact Mass322.14
IUPAC Name3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESO=C(CCN1CCO[C@H](c2ccc(Cl)cc2)C1)N1CCCC1
InChIInChI=1S/C17H23ClN2O2/c18-15-5-3-14(4-6-15)16-13-19(11-12-22-16)10-7-17(21)20-8-1-2-9-20/h3-6,16H,1-2,7-13H2/t16-/m0/s1
InChIKeySMRFTJZBDKCNAV-INIZCTEOSA-N
XLogP2.73
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 95556719) is 3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one is O=C(CCN1CCO[C@H](c2ccc(Cl)cc2)C1)N1CCCC1.
What is the InChIKey of 3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is SMRFTJZBDKCNAV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H23ClN2O2/c18-15-5-3-14(4-6-15)16-13-19(11-12-22-16)10-7-17(21)20-8-1-2-9-20/h3-6,16H,1-2,7-13H2/t16-/m0/s1.
What are the key properties of 3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 322.84 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 95556719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).