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

C14H18N2O3S — CID 4639573

IUPAC5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
SMILESO=C(C1CCC(=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
InChIKeyBMQMNMJKFYPDQQ-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.10
Rot. Bonds3

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

5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one (PubChem CID 4639573) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is 5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
PubChem CID4639573
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC Name5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one
SMILESO=C(C1CCC(=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
InChIKeyBMQMNMJKFYPDQQ-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The IUPAC name of 5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one (CID 4639573) is 5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one.
What is the SMILES notation for 5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The canonical SMILES for 5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one is O=C(C1CCC(=O)N1Cc1cccs1)N1CCOCC1.
What is the InChIKey of 5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
The InChIKey is BMQMNMJKFYPDQQ-UHFFFAOYSA-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.
What are the key properties of 5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one?
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 5-(morpholine-4-carbonyl)-1-(thiophen-2-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 4639573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).