6-(1-aminocyclopentyl)-5-chlorobenzene-1,2,4-triol

C11H14ClNO3 — CID 117361092

IUPAC6-(1-aminocyclopentyl)-5-chlorobenzene-1,2,4-triol
SMILESNC1(c2c(O)c(O)cc(O)c2Cl)CCCC1
InChIInChI=1S/C11H14ClNO3/c12-9-6(14)5-7(15)10(16)8(9)11(13)3-1-2-4-11/h5,14-16H,1-4,13H2
InChIKeyDITBECKQNDZCJH-UHFFFAOYSA-N
MW243.69 g/mol
LogP2.18
Rot. Bonds1

About 6-(1-aminocyclopentyl)-5-chlorobenzene-1,2,4-triol

6-(1-aminocyclopentyl)-5-chlorobenzene-1,2,4-triol (PubChem CID 117361092) has the molecular formula C11H14ClNO3 and a molecular weight of 243.69 g/mol. Its IUPAC name is 6-(1-aminocyclopentyl)-5-chlorobenzene-1,2,4-triol.

Molecular Properties

Compound Name6-(1-aminocyclopentyl)-5-chlorobenzene-1,2,4-triol
PubChem CID117361092
Molecular FormulaC11H14ClNO3
Molecular Weight243.69 g/mol
Exact Mass243.07
IUPAC Name6-(1-aminocyclopentyl)-5-chlorobenzene-1,2,4-triol
SMILESNC1(c2c(O)c(O)cc(O)c2Cl)CCCC1
InChIInChI=1S/C11H14ClNO3/c12-9-6(14)5-7(15)10(16)8(9)11(13)3-1-2-4-11/h5,14-16H,1-4,13H2
InChIKeyDITBECKQNDZCJH-UHFFFAOYSA-N
XLogP2.18
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.69
LogP ≤ 52.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-(1-aminocyclohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117456215
2-(1-aminocyclohexyl)-3-chloro-6-methoxy-4-methylphenol
CID 117427699
2-(1-aminocyclopentyl)-6-chloro-3,4-dimethylphenol
CID 117352045
2-(1-aminocyclohexyl)-4-chloro-6-fluoro-3-methylphenol
CID 117397935
4-(1-aminocyclohexyl)-5-bromo-3-fluorobenzene-1,2-diol
CID 117489242
2-(1-aminocyclopentyl)-6-chloro-3-methylphenol
CID 84790709
2-(1-aminocyclohexyl)-3,4,6-trifluorophenol
CID 117364421
5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol
CID 117301230
2-(1-aminocyclopropyl)-3-chloro-4-fluoro-6-methoxyphenol
CID 117335343
2-(1-aminocyclobutyl)-3-chloro-4-ethyl-6-methoxyphenol
CID 117392420
4-(1-aminocyclopentyl)-2-bromo-3,5-difluorophenol
CID 117471497
2-(1-aminocyclobutyl)-5-chlorophenol
CID 82607167

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminocyclopentyl)-5-chlorobenzene-1,2,4-triol?
The IUPAC name of 6-(1-aminocyclopentyl)-5-chlorobenzene-1,2,4-triol (CID 117361092) is 6-(1-aminocyclopentyl)-5-chlorobenzene-1,2,4-triol.
What is the SMILES notation for 6-(1-aminocyclopentyl)-5-chlorobenzene-1,2,4-triol?
The canonical SMILES for 6-(1-aminocyclopentyl)-5-chlorobenzene-1,2,4-triol is NC1(c2c(O)c(O)cc(O)c2Cl)CCCC1.
What is the InChIKey of 6-(1-aminocyclopentyl)-5-chlorobenzene-1,2,4-triol?
The InChIKey is DITBECKQNDZCJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3/c12-9-6(14)5-7(15)10(16)8(9)11(13)3-1-2-4-11/h5,14-16H,1-4,13H2.
What are the key properties of 6-(1-aminocyclopentyl)-5-chlorobenzene-1,2,4-triol?
6-(1-aminocyclopentyl)-5-chlorobenzene-1,2,4-triol has a molecular weight of 243.69 g/mol, XLogP of 2.18, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminocyclopentyl)-5-chlorobenzene-1,2,4-triol is sourced from PubChem (CID 117361092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).