[3-[(2-nitropyrrol-1-yl)methyl]thiophen-2-yl]methanol

C10H10N2O3S — CID 10585996

IUPAC[3-[(2-nitropyrrol-1-yl)methyl]thiophen-2-yl]methanol
SMILESO=[N+]([O-])c1cccn1Cc1ccsc1CO
InChIInChI=1S/C10H10N2O3S/c13-7-9-8(3-5-16-9)6-11-4-1-2-10(11)12(14)15/h1-5,13H,6-7H2
InChIKeyZUVBULWOMGHZRR-UHFFFAOYSA-N
MW238.27 g/mol
LogP2.00
Rot. Bonds4

About [3-[(2-nitropyrrol-1-yl)methyl]thiophen-2-yl]methanol

[3-[(2-nitropyrrol-1-yl)methyl]thiophen-2-yl]methanol (PubChem CID 10585996) has the molecular formula C10H10N2O3S and a molecular weight of 238.27 g/mol. Its IUPAC name is [3-[(2-nitropyrrol-1-yl)methyl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[3-[(2-nitropyrrol-1-yl)methyl]thiophen-2-yl]methanol
PubChem CID10585996
Molecular FormulaC10H10N2O3S
Molecular Weight238.27 g/mol
Exact Mass238.04
IUPAC Name[3-[(2-nitropyrrol-1-yl)methyl]thiophen-2-yl]methanol
SMILESO=[N+]([O-])c1cccn1Cc1ccsc1CO
InChIInChI=1S/C10H10N2O3S/c13-7-9-8(3-5-16-9)6-11-4-1-2-10(11)12(14)15/h1-5,13H,6-7H2
InChIKeyZUVBULWOMGHZRR-UHFFFAOYSA-N
XLogP2.00
TPSA68.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.27
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carbonyl chloride
CID 10825954
methyl 3-[(2-nitropyrrol-1-yl)methyl]thiophene-2-carboxylate
CID 10730447
1-(2-methoxyethyl)-2-nitropyrrole
CID 174853485
(2R,3S)-3-[(2-nitropyrrol-1-yl)methoxy]butane-1,2,4-triol
CID 11021171
[1-[(5-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol
CID 79580068
[1-[(4-chloro-2-nitrophenyl)methyl]pyrrol-2-yl]methanol
CID 66398888
5-fluoro-1-(2-nitropyrrol-1-yl)pentan-2-one
CID 158724122
1-(2-nitropyrrol-1-yl)hexan-2-one
CID 162213602
5-(18F)fluoro-5,5-difluoro-1-(2-nitropyrrol-1-yl)pentan-2-one
CID 158724119
3-[(7-nitroindol-1-yl)methyl]thiophene-2-carboxylic acid
CID 114935559
2-[2-hydroxy-3-(2-nitropyrrol-1-yl)propyl]isoindole-1,3-dione
CID 20824977
N-(2,2-difluoroethenyl)-2-(2-nitropyrrol-1-yl)acetamide
CID 90021696

Frequently Asked Questions

What is the IUPAC name of [3-[(2-nitropyrrol-1-yl)methyl]thiophen-2-yl]methanol?
The IUPAC name of [3-[(2-nitropyrrol-1-yl)methyl]thiophen-2-yl]methanol (CID 10585996) is [3-[(2-nitropyrrol-1-yl)methyl]thiophen-2-yl]methanol.
What is the SMILES notation for [3-[(2-nitropyrrol-1-yl)methyl]thiophen-2-yl]methanol?
The canonical SMILES for [3-[(2-nitropyrrol-1-yl)methyl]thiophen-2-yl]methanol is O=[N+]([O-])c1cccn1Cc1ccsc1CO.
What is the InChIKey of [3-[(2-nitropyrrol-1-yl)methyl]thiophen-2-yl]methanol?
The InChIKey is ZUVBULWOMGHZRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3S/c13-7-9-8(3-5-16-9)6-11-4-1-2-10(11)12(14)15/h1-5,13H,6-7H2.
What are the key properties of [3-[(2-nitropyrrol-1-yl)methyl]thiophen-2-yl]methanol?
[3-[(2-nitropyrrol-1-yl)methyl]thiophen-2-yl]methanol has a molecular weight of 238.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-nitropyrrol-1-yl)methyl]thiophen-2-yl]methanol is sourced from PubChem (CID 10585996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).