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

C13H23N2O2+ — CID 4053224

IUPACmorpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone
SMILESCC1(C)C=C(C(=O)N2CCOCC2)C(C)(C)[NH2+]1
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/p+1
InChIKeyINVJDRLDYSLZLT-UHFFFAOYSA-O
MW239.34 g/mol
LogP-0.09
Rot. Bonds1

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

morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone (PubChem CID 4053224) has the molecular formula C13H23N2O2+ and a molecular weight of 239.34 g/mol. Its IUPAC name is morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone
PubChem CID4053224
Molecular FormulaC13H23N2O2+
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC Namemorpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone
SMILESCC1(C)C=C(C(=O)N2CCOCC2)C(C)(C)[NH2+]1
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/p+1
InChIKeyINVJDRLDYSLZLT-UHFFFAOYSA-O
XLogP-0.09
TPSA46.15 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone?
The IUPAC name of morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone (CID 4053224) is morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone?
The canonical SMILES for morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone is CC1(C)C=C(C(=O)N2CCOCC2)C(C)(C)[NH2+]1.
What is the InChIKey of morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone?
The InChIKey is INVJDRLDYSLZLT-UHFFFAOYSA-O. 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/p+1.
What are the key properties of morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone?
morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone has a molecular weight of 239.34 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(2,2,5,5-tetramethyl-1H-pyrrol-1-ium-3-yl)methanone is sourced from PubChem (CID 4053224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).