[2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone

C15H19ClN2O2 — CID 63005450

IUPAC[2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN2O2/c16-13-3-1-11(2-4-13)14-10-18(7-8-20-14)15(19)12-5-6-17-9-12/h1-4,12,14,17H,5-10H2
InChIKeyQIHBJOGSIRNYAX-UHFFFAOYSA-N
MW294.78 g/mol
LogP1.85
Rot. Bonds2

About [2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone

[2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone (PubChem CID 63005450) has the molecular formula C15H19ClN2O2 and a molecular weight of 294.78 g/mol. Its IUPAC name is [2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone
PubChem CID63005450
Molecular FormulaC15H19ClN2O2
Molecular Weight294.78 g/mol
Exact Mass294.11
IUPAC Name[2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone
SMILESO=C(C1CCNC1)N1CCOC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C15H19ClN2O2/c16-13-3-1-11(2-4-13)14-10-18(7-8-20-14)15(19)12-5-6-17-9-12/h1-4,12,14,17H,5-10H2
InChIKeyQIHBJOGSIRNYAX-UHFFFAOYSA-N
XLogP1.85
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.78
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone with MolForge

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Related Compounds

[2-(3,4-dichlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 119315643
[2-(4-chlorophenyl)morpholin-4-yl]-cyclohexylmethanone
CID 110327062
[2-(4-fluorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 60963365
[(2S)-2-(2-fluorophenyl)morpholin-4-yl]-[(3R)-pyrrolidin-3-yl]methanone
CID 124699072
[2-(2-chlorophenyl)morpholin-4-yl]-piperidin-3-ylmethanone
CID 119318503
[2-(3-chloro-4-fluorophenyl)morpholin-4-yl]-morpholin-2-ylmethanone;hydrochloride
CID 119769231
cyclobutyl-[2-(3,5-dichlorophenyl)morpholin-4-yl]methanone
CID 71804695
[(2S)-2-(4-chlorophenyl)morpholin-4-yl]-[1-(2-methoxyethyl)piperidin-4-yl]methanone
CID 95211388
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-hydroxyethanone
CID 56878936
cyclopropyl-[4-[2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-1-yl]methanone
CID 134044230
(5S)-5-[(2R)-2-(4-fluorophenyl)morpholine-4-carbonyl]piperidin-2-one
CID 94159203
1-[2-[2-(4-chlorophenyl)morpholine-4-carbonyl]pyrrolidin-1-yl]ethanone
CID 56818026

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone?
The IUPAC name of [2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone (CID 63005450) is [2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone.
What is the SMILES notation for [2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone?
The canonical SMILES for [2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone is O=C(C1CCNC1)N1CCOC(c2ccc(Cl)cc2)C1.
What is the InChIKey of [2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone?
The InChIKey is QIHBJOGSIRNYAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2O2/c16-13-3-1-11(2-4-13)14-10-18(7-8-20-14)15(19)12-5-6-17-9-12/h1-4,12,14,17H,5-10H2.
What are the key properties of [2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone?
[2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone has a molecular weight of 294.78 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)morpholin-4-yl]-pyrrolidin-3-ylmethanone is sourced from PubChem (CID 63005450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).