4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide

C11H15ClN2O3 — CID 107301756

IUPAC4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC1OCCC1(O)CNC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C11H15ClN2O3/c1-7-11(16,2-3-17-7)6-14-10(15)9-4-8(12)5-13-9/h4-5,7,13,16H,2-3,6H2,1H3,(H,14,15)
InChIKeyFJZGWAKMYBJMDE-UHFFFAOYSA-N
MW258.70 g/mol
LogP0.94
Rot. Bonds3

About 4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide

4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 107301756) has the molecular formula C11H15ClN2O3 and a molecular weight of 258.70 g/mol. Its IUPAC name is 4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID107301756
Molecular FormulaC11H15ClN2O3
Molecular Weight258.70 g/mol
Exact Mass258.08
IUPAC Name4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide
SMILESCC1OCCC1(O)CNC(=O)c1cc(Cl)c[nH]1
InChIInChI=1S/C11H15ClN2O3/c1-7-11(16,2-3-17-7)6-14-10(15)9-4-8(12)5-13-9/h4-5,7,13,16H,2-3,6H2,1H3,(H,14,15)
InChIKeyFJZGWAKMYBJMDE-UHFFFAOYSA-N
XLogP0.94
TPSA74.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.70
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-oxo-1,3-dihydroimidazole-4-carboxamide
CID 107302271
2,5-dichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]thiophene-3-carboxamide
CID 107302139
4-chloro-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-1H-pyrrole-2-carboxamide
CID 80717603
5-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 106100363
1-[[(4-chloro-1H-pyrrole-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440865
2-(2,4-dichlorophenyl)-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]acetamide
CID 107301999
4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-2-methoxybenzamide
CID 107301442
3,5-difluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107302216
N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-indole-5-carboxamide
CID 107302119
2-chloro-4-fluoro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 107301456
4-amino-2-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]benzamide
CID 106099080
3,4,5-trichloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]pyridine-2-carboxamide
CID 107302208

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide (CID 107301756) is 4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide is CC1OCCC1(O)CNC(=O)c1cc(Cl)c[nH]1.
What is the InChIKey of 4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is FJZGWAKMYBJMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3/c1-7-11(16,2-3-17-7)6-14-10(15)9-4-8(12)5-13-9/h4-5,7,13,16H,2-3,6H2,1H3,(H,14,15).
What are the key properties of 4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide?
4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 258.70 g/mol, XLogP of 0.94, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 107301756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).