4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one

C11H19ClN2O2 — CID 168688552

IUPAC4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1CCCN1CCOCC1
InChIInChI=1S/C11H19ClN2O2/c12-10-8-11(15)14(9-10)3-1-2-13-4-6-16-7-5-13/h10H,1-9H2
InChIKeyILWJKNIHIWSARY-UHFFFAOYSA-N
MW246.74 g/mol
LogP0.55
Rot. Bonds4

About 4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one

4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one (PubChem CID 168688552) has the molecular formula C11H19ClN2O2 and a molecular weight of 246.74 g/mol. Its IUPAC name is 4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
PubChem CID168688552
Molecular FormulaC11H19ClN2O2
Molecular Weight246.74 g/mol
Exact Mass246.11
IUPAC Name4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
SMILESO=C1CC(Cl)CN1CCCN1CCOCC1
InChIInChI=1S/C11H19ClN2O2/c12-10-8-11(15)14(9-10)3-1-2-13-4-6-16-7-5-13/h10H,1-9H2
InChIKeyILWJKNIHIWSARY-UHFFFAOYSA-N
XLogP0.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-ethenyl-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one
CID 168685224
4-chloro-1-hexylpyrrolidin-2-one
CID 168687403
5-amino-4-methyl-1-(2-morpholin-4-ylethyl)piperidin-2-one
CID 79354825
1-(3-morpholin-4-ylpropyl)piperazin-2-one
CID 57445037
tert-butyl 4-[2-(4-chloro-2-oxopyrrolidin-1-yl)ethyl]piperazine-1-carboxylate
CID 168687219
N-[3-(4-chloro-2-oxopyrrolidin-1-yl)propyl]acetamide
CID 168687350
N-(3-aminopropyl)-1-(2-morpholin-4-ylethyl)-5-oxopyrrolidine-3-carboxamide
CID 119408328
N-methyl-3-(3-morpholin-4-ylpropyl)-2-oxo-1,3-oxazolidine-5-carboxamide
CID 118152534
16-[10-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)decyl]-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 15145347
(1S,8R)-3-(3-morpholin-4-ylpropyl)-4-oxo-9-oxa-3-azatricyclo[6.1.1.01,5]dec-5-ene-6-carboxylic acid
CID 98050915
4-chloro-1-[3-(cyclohexylamino)propyl]pyrrolidin-2-one
CID 168688553
4-chloro-1-[[1-(2-hydroxyethyl)piperidin-4-yl]methyl]pyrrolidin-2-one
CID 168688520

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one (CID 168688552) is 4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one is O=C1CC(Cl)CN1CCCN1CCOCC1.
What is the InChIKey of 4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one?
The InChIKey is ILWJKNIHIWSARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O2/c12-10-8-11(15)14(9-10)3-1-2-13-4-6-16-7-5-13/h10H,1-9H2.
What are the key properties of 4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one?
4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one has a molecular weight of 246.74 g/mol, XLogP of 0.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(3-morpholin-4-ylpropyl)pyrrolidin-2-one is sourced from PubChem (CID 168688552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).