(5R)-5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one

C14H18N2O3S — CID 1477413

IUPAC(5R)-5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
SMILESO=C([C@H]1CCC(=O)N1Cc1cccs1)N1CCOCC1
InChIInChI=1S/C14H18N2O3S/c17-13-4-3-12(14(18)15-5-7-19-8-6-15)16(13)10-11-2-1-9-20-11/h1-2,9,12H,3-8,10H2/t12-/m1/s1
InChIKeyBMQMNMJKFYPDQQ-GFCCVEGCSA-N
MW294.38 g/mol
LogP1.10
Rot. Bonds3

About (5R)-5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one

(5R)-5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one (PubChem CID 1477413) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is (5R)-5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
PubChem CID1477413
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name(5R)-5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
SMILESO=C([C@H]1CCC(=O)N1Cc1cccs1)N1CCOCC1
InChIInChI=1S/C14H18N2O3S/c17-13-4-3-12(14(18)15-5-7-19-8-6-15)16(13)10-11-2-1-9-20-11/h1-2,9,12H,3-8,10H2/t12-/m1/s1
InChIKeyBMQMNMJKFYPDQQ-GFCCVEGCSA-N
XLogP1.10
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5S)-5-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
CID 95739109
(2S)-N,N-dimethyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 1477416
1-[(5-methylfuran-2-yl)methyl]-5-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 71688598
(2R)-N-benzyl-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739125
[(3aS,5S,7aS)-1-(thiophen-2-ylmethyl)-3,3a,5,6,7,7a-hexahydro-2H-pyrano[3,2-b]pyrrol-5-yl]-morpholin-4-ylmethanone
CID 124786607
N-[(2-methylphenyl)methyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56730994
5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 56731000
(2R)-5-oxo-N-(pyridin-4-ylmethyl)-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739094
(2R)-N-(1,3-benzodioxol-5-yl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739419
N-(4-methoxyphenyl)-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 4679189
(2S)-N-[(4-fluorophenyl)methyl]-5-oxo-1-(thiophen-2-ylmethyl)pyrrolidine-2-carboxamide
CID 95739130
5-(2,3-dihydroindole-1-carbonyl)-4-(thiophen-2-ylmethyl)morpholin-3-one
CID 71801176

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of (5R)-5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one (CID 1477413) is (5R)-5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for (5R)-5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for (5R)-5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one is O=C([C@H]1CCC(=O)N1Cc1cccs1)N1CCOCC1.
What is the InChIKey of (5R)-5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is BMQMNMJKFYPDQQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H18N2O3S/c17-13-4-3-12(14(18)15-5-7-19-8-6-15)16(13)10-11-2-1-9-20-11/h1-2,9,12H,3-8,10H2/t12-/m1/s1.
What are the key properties of (5R)-5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
(5R)-5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one has a molecular weight of 294.38 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 1477413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).