(3R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylpyrrolidin-2-one

C14H18ClN3O2 — CID 161185733

IUPAC(3R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylpyrrolidin-2-one
SMILESC[C@@H]1CCN(c2cc(Cl)cc(N3CCOCC3)n2)C1=O
InChIInChI=1S/C14H18ClN3O2/c1-10-2-3-18(14(10)19)13-9-11(15)8-12(16-13)17-4-6-20-7-5-17/h8-10H,2-7H2,1H3/t10-/m1/s1
InChIKeyGGBGYCCFTNAMIF-SNVBAGLBSA-N
MW295.77 g/mol
LogP1.94
Rot. Bonds2

About (3R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylpyrrolidin-2-one

(3R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylpyrrolidin-2-one (PubChem CID 161185733) has the molecular formula C14H18ClN3O2 and a molecular weight of 295.77 g/mol. Its IUPAC name is (3R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylpyrrolidin-2-one
PubChem CID161185733
Molecular FormulaC14H18ClN3O2
Molecular Weight295.77 g/mol
Exact Mass295.11
IUPAC Name(3R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylpyrrolidin-2-one
SMILESC[C@@H]1CCN(c2cc(Cl)cc(N3CCOCC3)n2)C1=O
InChIInChI=1S/C14H18ClN3O2/c1-10-2-3-18(14(10)19)13-9-11(15)8-12(16-13)17-4-6-20-7-5-17/h8-10H,2-7H2,1H3/t10-/m1/s1
InChIKeyGGBGYCCFTNAMIF-SNVBAGLBSA-N
XLogP1.94
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylpyrrolidin-2-one?
The IUPAC name of (3R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylpyrrolidin-2-one (CID 161185733) is (3R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylpyrrolidin-2-one.
What is the SMILES notation for (3R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylpyrrolidin-2-one?
The canonical SMILES for (3R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylpyrrolidin-2-one is C[C@@H]1CCN(c2cc(Cl)cc(N3CCOCC3)n2)C1=O.
What is the InChIKey of (3R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylpyrrolidin-2-one?
The InChIKey is GGBGYCCFTNAMIF-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18ClN3O2/c1-10-2-3-18(14(10)19)13-9-11(15)8-12(16-13)17-4-6-20-7-5-17/h8-10H,2-7H2,1H3/t10-/m1/s1.
What are the key properties of (3R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylpyrrolidin-2-one?
(3R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylpyrrolidin-2-one has a molecular weight of 295.77 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-chloro-6-morpholin-4-yl-2-pyridinyl)-3-methylpyrrolidin-2-one is sourced from PubChem (CID 161185733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).