[2-[(2-nitrothiophen-3-yl)amino]cyclopropyl]methanol

C8H10N2O3S — CID 130677974

IUPAC[2-[(2-nitrothiophen-3-yl)amino]cyclopropyl]methanol
SMILESO=[N+]([O-])c1sccc1NC1CC1CO
InChIInChI=1S/C8H10N2O3S/c11-4-5-3-7(5)9-6-1-2-14-8(6)10(12)13/h1-2,5,7,9,11H,3-4H2
InChIKeyQIUUTABNUODDJA-UHFFFAOYSA-N
MW214.25 g/mol
LogP1.45
Rot. Bonds4

About [2-[(2-nitrothiophen-3-yl)amino]cyclopropyl]methanol

[2-[(2-nitrothiophen-3-yl)amino]cyclopropyl]methanol (PubChem CID 130677974) has the molecular formula C8H10N2O3S and a molecular weight of 214.25 g/mol. Its IUPAC name is [2-[(2-nitrothiophen-3-yl)amino]cyclopropyl]methanol.

Molecular Properties

Compound Name[2-[(2-nitrothiophen-3-yl)amino]cyclopropyl]methanol
PubChem CID130677974
Molecular FormulaC8H10N2O3S
Molecular Weight214.25 g/mol
Exact Mass214.04
IUPAC Name[2-[(2-nitrothiophen-3-yl)amino]cyclopropyl]methanol
SMILESO=[N+]([O-])c1sccc1NC1CC1CO
InChIInChI=1S/C8H10N2O3S/c11-4-5-3-7(5)9-6-1-2-14-8(6)10(12)13/h1-2,5,7,9,11H,3-4H2
InChIKeyQIUUTABNUODDJA-UHFFFAOYSA-N
XLogP1.45
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.25
LogP ≤ 51.45
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of [2-[(2-nitrothiophen-3-yl)amino]cyclopropyl]methanol?
The IUPAC name of [2-[(2-nitrothiophen-3-yl)amino]cyclopropyl]methanol (CID 130677974) is [2-[(2-nitrothiophen-3-yl)amino]cyclopropyl]methanol.
What is the SMILES notation for [2-[(2-nitrothiophen-3-yl)amino]cyclopropyl]methanol?
The canonical SMILES for [2-[(2-nitrothiophen-3-yl)amino]cyclopropyl]methanol is O=[N+]([O-])c1sccc1NC1CC1CO.
What is the InChIKey of [2-[(2-nitrothiophen-3-yl)amino]cyclopropyl]methanol?
The InChIKey is QIUUTABNUODDJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3S/c11-4-5-3-7(5)9-6-1-2-14-8(6)10(12)13/h1-2,5,7,9,11H,3-4H2.
What are the key properties of [2-[(2-nitrothiophen-3-yl)amino]cyclopropyl]methanol?
[2-[(2-nitrothiophen-3-yl)amino]cyclopropyl]methanol has a molecular weight of 214.25 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-nitrothiophen-3-yl)amino]cyclopropyl]methanol is sourced from PubChem (CID 130677974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).