1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone

C16H21ClN2O2 — CID 56741046

IUPAC1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H21ClN2O2/c17-14-5-3-13(4-6-14)15-11-19(9-10-21-15)16(20)12-18-7-1-2-8-18/h3-6,15H,1-2,7-12H2
InChIKeyOYCDHFONKZRZCN-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.34
Rot. Bonds3

About 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone

1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone (PubChem CID 56741046) has the molecular formula C16H21ClN2O2 and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
PubChem CID56741046
Molecular FormulaC16H21ClN2O2
Molecular Weight308.81 g/mol
Exact Mass308.13
IUPAC Name1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone
SMILESO=C(CN1CCCC1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C16H21ClN2O2/c17-14-5-3-13(4-6-14)15-11-19(9-10-21-15)16(20)12-18-7-1-2-8-18/h3-6,15H,1-2,7-12H2
InChIKeyOYCDHFONKZRZCN-UHFFFAOYSA-N
XLogP2.34
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-piperidin-1-ylethanone
CID 95197348
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-morpholin-4-ylethanone
CID 56757034
1-(azepan-1-yl)-2-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]ethanone
CID 138994235
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
1-[2-[2-(4-chlorophenyl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 56817626
1-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,3-dione
CID 60951251
1-[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-2-(dimethylamino)ethanone
CID 95205970
2-(4-chlorophenyl)-N-(2-oxo-2-pyrrolidin-1-ylethyl)morpholine-4-carboxamide
CID 87036056
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(1-hydroxycyclopentyl)ethanone
CID 111430703
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(tetrazol-1-yl)ethanone
CID 60558538
5-amino-1-[(2R)-2-(4-chlorophenyl)morpholin-4-yl]pentan-1-one
CID 95358094
1-(4-chlorophenyl)-4-[2-(4-chlorophenyl)morpholin-4-yl]butane-1,4-dione
CID 110356660

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone?
The IUPAC name of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone (CID 56741046) is 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone.
What is the SMILES notation for 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone?
The canonical SMILES for 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone is O=C(CN1CCCC1)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone?
The InChIKey is OYCDHFONKZRZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O2/c17-14-5-3-13(4-6-14)15-11-19(9-10-21-15)16(20)12-18-7-1-2-8-18/h3-6,15H,1-2,7-12H2.
What are the key properties of 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone?
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone has a molecular weight of 308.81 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenyl)morpholin-4-yl]-2-pyrrolidin-1-ylethanone is sourced from PubChem (CID 56741046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).