3-(morpholin-4-ylmethylideneamino)pyrrol-2-one

C9H11N3O2 — CID 141197219

IUPAC3-(morpholin-4-ylmethylideneamino)pyrrol-2-one
SMILESO=C1N=CC=C1/N=C/N1CCOCC1
InChIInChI=1S/C9H11N3O2/c13-9-8(1-2-10-9)11-7-12-3-5-14-6-4-12/h1-2,7H,3-6H2/b11-7+
InChIKeyLYMXQHKYNLBHMQ-YRNVUSSQSA-N
MW193.21 g/mol
LogP-0.16
Rot. Bonds2

About 3-(morpholin-4-ylmethylideneamino)pyrrol-2-one

3-(morpholin-4-ylmethylideneamino)pyrrol-2-one (PubChem CID 141197219) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-(morpholin-4-ylmethylideneamino)pyrrol-2-one.

Molecular Properties

Compound Name3-(morpholin-4-ylmethylideneamino)pyrrol-2-one
PubChem CID141197219
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name3-(morpholin-4-ylmethylideneamino)pyrrol-2-one
SMILESO=C1N=CC=C1/N=C/N1CCOCC1
InChIInChI=1S/C9H11N3O2/c13-9-8(1-2-10-9)11-7-12-3-5-14-6-4-12/h1-2,7H,3-6H2/b11-7+
InChIKeyLYMXQHKYNLBHMQ-YRNVUSSQSA-N
XLogP-0.16
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4,6,7,9-Tetrahydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 90903104
3-Morpholin-4-ylpyrrol-2-one
CID 141243061

Frequently Asked Questions

What is the IUPAC name of 3-(morpholin-4-ylmethylideneamino)pyrrol-2-one?
The IUPAC name of 3-(morpholin-4-ylmethylideneamino)pyrrol-2-one (CID 141197219) is 3-(morpholin-4-ylmethylideneamino)pyrrol-2-one.
What is the SMILES notation for 3-(morpholin-4-ylmethylideneamino)pyrrol-2-one?
The canonical SMILES for 3-(morpholin-4-ylmethylideneamino)pyrrol-2-one is O=C1N=CC=C1/N=C/N1CCOCC1.
What is the InChIKey of 3-(morpholin-4-ylmethylideneamino)pyrrol-2-one?
The InChIKey is LYMXQHKYNLBHMQ-YRNVUSSQSA-N. The full InChI is InChI=1S/C9H11N3O2/c13-9-8(1-2-10-9)11-7-12-3-5-14-6-4-12/h1-2,7H,3-6H2/b11-7+.
What are the key properties of 3-(morpholin-4-ylmethylideneamino)pyrrol-2-one?
3-(morpholin-4-ylmethylideneamino)pyrrol-2-one has a molecular weight of 193.21 g/mol, XLogP of -0.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(morpholin-4-ylmethylideneamino)pyrrol-2-one is sourced from PubChem (CID 141197219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).