morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone

C13H22N2O2 — CID 3502186

IUPACmorpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone
SMILESCC1(C)C=C(C(=O)N2CCOCC2)C(C)(C)N1
InChIInChI=1S/C13H22N2O2/c1-12(2)9-10(13(3,4)14-12)11(16)15-5-7-17-8-6-15/h9,14H,5-8H2,1-4H3
InChIKeyINVJDRLDYSLZLT-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.93
Rot. Bonds1

About morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone

morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone (PubChem CID 3502186) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone
PubChem CID3502186
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Namemorpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone
SMILESCC1(C)C=C(C(=O)N2CCOCC2)C(C)(C)N1
InChIInChI=1S/C13H22N2O2/c1-12(2)9-10(13(3,4)14-12)11(16)15-5-7-17-8-6-15/h9,14H,5-8H2,1-4H3
InChIKeyINVJDRLDYSLZLT-UHFFFAOYSA-N
XLogP0.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]acetate
CID 14417272
1-[(2,2,5,5-tetramethyl-2,5-dihydro-1H-pyrrol-3-yl)carbonyl]piperidine
CID 4053223
(Z)-2-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pent-2-enamide
CID 51077873
ethyl 2-[(2-ethoxy-2-oxoethyl)-(2,2,5,5-tetramethyl-1H-pyrrole-3-carbonyl)amino]acetate
CID 14417274
3-(2,5-dioxo-3-propan-2-ylpyrrol-1-yl)-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]propanamide
CID 170538630
3-Propan-2-yl-1-[2-[2-(propan-2-ylamino)ethoxy]ethyl]pyrrole-2,5-dione
CID 170538632
(E)-N-tert-butyl-2-(morpholin-4-ylmethyl)but-2-enamide
CID 176757928
(E)-N-(2,2-dimethylpropyl)-2-(1-morpholin-4-ylethyl)but-2-enamide
CID 176758101
piperidin-1-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone
CID 4053222
morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone
CID 4053224
(Z)-2-methyl-N-(2-methyl-2-morpholin-4-ylbutyl)pent-2-enamide
CID 47031299
2-methyl-N-(2-methyl-2-morpholin-4-ylbutyl)pent-2-enamide
CID 72052058

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone?
The IUPAC name of morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone (CID 3502186) is morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone?
The canonical SMILES for morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone is CC1(C)C=C(C(=O)N2CCOCC2)C(C)(C)N1.
What is the InChIKey of morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone?
The InChIKey is INVJDRLDYSLZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-12(2)9-10(13(3,4)14-12)11(16)15-5-7-17-8-6-15/h9,14H,5-8H2,1-4H3.
What are the key properties of morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone?
morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone has a molecular weight of 238.33 g/mol, XLogP of 0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-3-yl)methanone is sourced from PubChem (CID 3502186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).