4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide

C11H15BrN2O2 — CID 43640614

IUPAC4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCNC(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C11H15BrN2O2/c1-16-5-4-13-11(15)10-6-8(12)7-14(10)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,13,15)
InChIKeyJWQVYSOYNKUOSS-UHFFFAOYSA-N
MW287.16 g/mol
LogP1.96
Rot. Bonds5

About 4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide

4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide (PubChem CID 43640614) has the molecular formula C11H15BrN2O2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide
PubChem CID43640614
Molecular FormulaC11H15BrN2O2
Molecular Weight287.16 g/mol
Exact Mass286.03
IUPAC Name4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide
SMILESCOCCNC(=O)c1cc(Br)cn1C1CC1
InChIInChI=1S/C11H15BrN2O2/c1-16-5-4-13-11(15)10-6-8(12)7-14(10)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,13,15)
InChIKeyJWQVYSOYNKUOSS-UHFFFAOYSA-N
XLogP1.96
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-1-cyclopropyl-N-(3-methoxypropyl)pyrrole-2-carboxamide
CID 43641446
methyl 4-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]butanoate
CID 61249864
4-bromo-1-cyclopropyl-N-(2-ethylsulfonylethyl)pyrrole-2-carboxamide
CID 114111098
4-bromo-1-cyclopropyl-N-[2-(propylamino)ethyl]pyrrole-2-carboxamide
CID 62659546
4-bromo-1-cyclopropyl-N-(2,2-dimethoxyethyl)pyrrole-2-carboxamide
CID 61248178
4-bromo-1-cyclopropyl-N-[2-(dimethylcarbamoylamino)ethyl]pyrrole-2-carboxamide
CID 83121332
4-bromo-1-cyclopropyl-N-(3-methylsulfonylpropyl)pyrrole-2-carboxamide
CID 54905476
2-[(4-bromo-1-cyclopropylpyrrole-2-carbonyl)amino]-4-methoxybutanoic acid
CID 62478782
4-bromo-1-cyclopropyl-N-(2-phenylsulfanylethyl)pyrrole-2-carboxamide
CID 60977099
4-bromo-1-cyclopropyl-N-[2-(4-hydroxyphenyl)ethyl]pyrrole-2-carboxamide
CID 61018427
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 82950994
4-bromo-1-cyclopropyl-N-[2-(1-methylpyrazol-4-yl)ethyl]pyrrole-2-carboxamide
CID 80683115

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide (CID 43640614) is 4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide is COCCNC(=O)c1cc(Br)cn1C1CC1.
What is the InChIKey of 4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide?
The InChIKey is JWQVYSOYNKUOSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O2/c1-16-5-4-13-11(15)10-6-8(12)7-14(10)9-2-3-9/h6-7,9H,2-5H2,1H3,(H,13,15).
What are the key properties of 4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide?
4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide has a molecular weight of 287.16 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-cyclopropyl-N-(2-methoxyethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 43640614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).