4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide

C11H15ClN2O2 — CID 115878497

IUPAC4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NC1(CO)CCC1
InChIInChI=1S/C11H15ClN2O2/c1-14-6-8(12)5-9(14)10(16)13-11(7-15)3-2-4-11/h5-6,15H,2-4,7H2,1H3,(H,13,16)
InChIKeyOXSQVUSVGQYJGL-UHFFFAOYSA-N
MW242.71 g/mol
LogP1.32
Rot. Bonds3

About 4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide

4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide (PubChem CID 115878497) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
PubChem CID115878497
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
SMILESCn1cc(Cl)cc1C(=O)NC1(CO)CCC1
InChIInChI=1S/C11H15ClN2O2/c1-14-6-8(12)5-9(14)10(16)13-11(7-15)3-2-4-11/h5-6,15H,2-4,7H2,1H3,(H,13,16)
InChIKeyOXSQVUSVGQYJGL-UHFFFAOYSA-N
XLogP1.32
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(4-chloro-1-methylpyrrole-2-carbonyl)amino]cyclohexyl]acetic acid
CID 64671752
4,5-dichloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide
CID 113344807
4-chloro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]-1-methylpyrrole-2-carboxamide
CID 113294464
N-[1-(hydroxymethyl)cyclohexyl]-1-methyl-4-sulfamoylpyrrole-2-carboxamide
CID 62519693
2-[1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 81163722
4-chloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1-propylpyrrole-2-carboxamide
CID 62526339
1-[[(4-chloro-1-methylpyrrole-2-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443348
2,4-dichloro-N-[1-(hydroxymethyl)cyclobutyl]benzamide
CID 115878522
4-bromo-N-[1-(hydroxymethyl)cyclobutyl]-1-propan-2-ylpyrrole-2-carboxamide
CID 115878266
4-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-1-methylpyrrole-2-carboxamide
CID 43500997
N-[1-(hydroxymethyl)cyclobutyl]-1-methylimidazole-4-carboxamide
CID 103881180
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-3-methylbenzamide
CID 115878155

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide (CID 115878497) is 4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide is Cn1cc(Cl)cc1C(=O)NC1(CO)CCC1.
What is the InChIKey of 4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is OXSQVUSVGQYJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-14-6-8(12)5-9(14)10(16)13-11(7-15)3-2-4-11/h5-6,15H,2-4,7H2,1H3,(H,13,16).
What are the key properties of 4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide?
4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 242.71 g/mol, XLogP of 1.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(hydroxymethyl)cyclobutyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 115878497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).