(2S)-N-methyl-N-(2-morpholin-4-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide

C12H21N3O2 — CID 171359447

IUPAC(2S)-N-methyl-N-(2-morpholin-4-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCN(CCN1CCOCC1)C(=O)[C@@H]1C=CCN1
InChIInChI=1S/C12H21N3O2/c1-14(12(16)11-3-2-4-13-11)5-6-15-7-9-17-10-8-15/h2-3,11,13H,4-10H2,1H3/t11-/m0/s1
InChIKeyYSXDGLPQJMDXHW-NSHDSACASA-N
MW239.32 g/mol
LogP-0.69
Rot. Bonds4

About (2S)-N-methyl-N-(2-morpholin-4-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide

(2S)-N-methyl-N-(2-morpholin-4-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide (PubChem CID 171359447) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (2S)-N-methyl-N-(2-morpholin-4-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-(2-morpholin-4-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
PubChem CID171359447
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(2S)-N-methyl-N-(2-morpholin-4-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide
SMILESCN(CCN1CCOCC1)C(=O)[C@@H]1C=CCN1
InChIInChI=1S/C12H21N3O2/c1-14(12(16)11-3-2-4-13-11)5-6-15-7-9-17-10-8-15/h2-3,11,13H,4-10H2,1H3/t11-/m0/s1
InChIKeyYSXDGLPQJMDXHW-NSHDSACASA-N
XLogP-0.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 5-0.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-(2-morpholin-4-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide?
The IUPAC name of (2S)-N-methyl-N-(2-morpholin-4-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide (CID 171359447) is (2S)-N-methyl-N-(2-morpholin-4-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide.
What is the SMILES notation for (2S)-N-methyl-N-(2-morpholin-4-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide?
The canonical SMILES for (2S)-N-methyl-N-(2-morpholin-4-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide is CN(CCN1CCOCC1)C(=O)[C@@H]1C=CCN1.
What is the InChIKey of (2S)-N-methyl-N-(2-morpholin-4-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide?
The InChIKey is YSXDGLPQJMDXHW-NSHDSACASA-N. The full InChI is InChI=1S/C12H21N3O2/c1-14(12(16)11-3-2-4-13-11)5-6-15-7-9-17-10-8-15/h2-3,11,13H,4-10H2,1H3/t11-/m0/s1.
What are the key properties of (2S)-N-methyl-N-(2-morpholin-4-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide?
(2S)-N-methyl-N-(2-morpholin-4-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide has a molecular weight of 239.32 g/mol, XLogP of -0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-(2-morpholin-4-ylethyl)-2,5-dihydro-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 171359447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).