4-[(2-methoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile

C10H15N3O — CID 103202449

IUPAC4-[(2-methoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile
SMILESCOCCNCc1cc(C#N)n(C)c1
InChIInChI=1S/C10H15N3O/c1-13-8-9(5-10(13)6-11)7-12-3-4-14-2/h5,8,12H,3-4,7H2,1-2H3
InChIKeyIMQVJYCYMRFMMY-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.63
Rot. Bonds5

About 4-[(2-methoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile

4-[(2-methoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile (PubChem CID 103202449) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-[(2-methoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile.

Molecular Properties

Compound Name4-[(2-methoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile
PubChem CID103202449
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-[(2-methoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile
SMILESCOCCNCc1cc(C#N)n(C)c1
InChIInChI=1S/C10H15N3O/c1-13-8-9(5-10(13)6-11)7-12-3-4-14-2/h5,8,12H,3-4,7H2,1-2H3
InChIKeyIMQVJYCYMRFMMY-UHFFFAOYSA-N
XLogP0.63
TPSA49.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[(4-methoxy-2,2-dimethylbutyl)amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103527686
4-[(2,2-dimethoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103203040
1-methyl-4-[(3-methylsulfinylpropylamino)methyl]pyrrole-2-carbonitrile
CID 103203608
1-methyl-4-[(2,2,2-trifluoroethylamino)methyl]pyrrole-2-carbonitrile
CID 103202437
4-[(3-cyclopentylpropylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103527016
1-methyl-4-[[2-(2-methylphenyl)ethylamino]methyl]pyrrole-2-carbonitrile
CID 103203399
1-methyl-4-[(2,2,3-trimethylbutylamino)methyl]pyrrole-2-carbonitrile
CID 103527727
4-[(2-bromoprop-2-enylamino)methyl]-1-methylpyrrole-2-carbonitrile
CID 103203579
4-[[(6-methoxy-3-pyridinyl)methylamino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103202639
1-methyl-4-[(thiophen-3-ylmethylamino)methyl]pyrrole-2-carbonitrile
CID 103203285
4-[[2-(4-fluoro-2-methylphenyl)ethylamino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103203416
4-[[(2,3-dihydroxy-2-methylpropyl)amino]methyl]-1-methylpyrrole-2-carbonitrile
CID 103203381

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile?
The IUPAC name of 4-[(2-methoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile (CID 103202449) is 4-[(2-methoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile.
What is the SMILES notation for 4-[(2-methoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile?
The canonical SMILES for 4-[(2-methoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile is COCCNCc1cc(C#N)n(C)c1.
What is the InChIKey of 4-[(2-methoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile?
The InChIKey is IMQVJYCYMRFMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-13-8-9(5-10(13)6-11)7-12-3-4-14-2/h5,8,12H,3-4,7H2,1-2H3.
What are the key properties of 4-[(2-methoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile?
4-[(2-methoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile has a molecular weight of 193.25 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methoxyethylamino)methyl]-1-methylpyrrole-2-carbonitrile is sourced from PubChem (CID 103202449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).