1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide

C13H18N2O2 — CID 106227866

IUPAC1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide
SMILESC#CC(CC)NC(=O)c1cccn1CCOC
InChIInChI=1S/C13H18N2O2/c1-4-11(5-2)14-13(16)12-7-6-8-15(12)9-10-17-3/h1,6-8,11H,5,9-10H2,2-3H3,(H,14,16)
InChIKeyNYNPMOGTGJEHPI-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.28
Rot. Bonds6

About 1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide

1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide (PubChem CID 106227866) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide
PubChem CID106227866
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide
SMILESC#CC(CC)NC(=O)c1cccn1CCOC
InChIInChI=1S/C13H18N2O2/c1-4-11(5-2)14-13(16)12-7-6-8-15(12)9-10-17-3/h1,6-8,11H,5,9-10H2,2-3H3,(H,14,16)
InChIKeyNYNPMOGTGJEHPI-UHFFFAOYSA-N
XLogP1.28
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608626
N-(3-ethyl-2-hydroxypentyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 106287615
1-(2-methoxyethyl)-N-pent-4-ynylpyrrole-2-carboxamide
CID 106223251
N-ethyl-1-(2-methoxyethyl)-N-prop-2-ynylpyrrole-2-carboxamide
CID 114610851
1-[1-(2-methoxyethyl)pyrrol-2-yl]ethanone
CID 45086402
tert-butyl (2S)-2-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoate
CID 104940065
1-ethyl-N-(1-hydroxy-4-methoxybutan-2-yl)pyrrole-2-carboxamide
CID 114211275
2,6-dimethoxy-N-pent-1-yn-3-ylbenzamide
CID 103579049
3-[[1-(2-methoxyethyl)pyrrole-2-carbonyl]amino]propanoic acid
CID 114608589
N-(3-amino-2-hydroxy-3-oxopropyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114152525
N-ethyl-N-(2-hydroxyethyl)-1-(2-methoxyethyl)pyrrole-2-carboxamide
CID 114609488
1-(2-methoxyethyl)-N-(4-methylpiperidin-4-yl)pyrrole-2-carboxamide
CID 114696201

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide (CID 106227866) is 1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide is C#CC(CC)NC(=O)c1cccn1CCOC.
What is the InChIKey of 1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide?
The InChIKey is NYNPMOGTGJEHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-4-11(5-2)14-13(16)12-7-6-8-15(12)9-10-17-3/h1,6-8,11H,5,9-10H2,2-3H3,(H,14,16).
What are the key properties of 1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide?
1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-N-pent-1-yn-3-ylpyrrole-2-carboxamide is sourced from PubChem (CID 106227866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).