10-(1-aminocyclopentyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol

C17H23NO3 — CID 117467561

IUPAC10-(1-aminocyclopentyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol
SMILESNC1(c2c3c(c(O)c4c2OCCC4)OCCC3)CCCC1
InChIInChI=1S/C17H23NO3/c18-17(7-1-2-8-17)13-11-5-3-10-21-16(11)14(19)12-6-4-9-20-15(12)13/h19H,1-10,18H2
InChIKeyBWRQJJMXQBPQIY-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.77
Rot. Bonds1

About 10-(1-aminocyclopentyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol

10-(1-aminocyclopentyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol (PubChem CID 117467561) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 10-(1-aminocyclopentyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol.

Molecular Properties

Compound Name10-(1-aminocyclopentyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol
PubChem CID117467561
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name10-(1-aminocyclopentyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol
SMILESNC1(c2c3c(c(O)c4c2OCCC4)OCCC3)CCCC1
InChIInChI=1S/C17H23NO3/c18-17(7-1-2-8-17)13-11-5-3-10-21-16(11)14(19)12-6-4-9-20-15(12)13/h19H,1-10,18H2
InChIKeyBWRQJJMXQBPQIY-UHFFFAOYSA-N
XLogP2.77
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 10-(1-aminocyclopentyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol with MolForge

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Related Compounds

8-(1-aminocyclohexyl)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-ol
CID 117440448
1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)cyclopentan-1-amine
CID 117402327
1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopentan-1-amine
CID 117448866
1-(4-chloro-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclohexan-1-amine
CID 117474079
1-(2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-yl)cyclohexan-1-amine
CID 117464038
1-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)cyclopropane-1-carboxylic acid
CID 117409785
6-(1-aminocyclopentyl)-3,4-dihydro-2H-1,5-benzodioxepin-7-ol
CID 117376057
2-amino-2-(5-hydroxy-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetic acid
CID 117447616
10-(1-hydroxy-2-methylpropan-2-yl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol
CID 117446306
6-methyl-3,4-dihydro-2H-chromene-5,8-diol
CID 168996294
10-(isocyanatomethyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol
CID 117406838
5-(1-aminocyclohexyl)-6-chloro-2,3-dihydro-1,4-benzodioxin-7-ol
CID 117456215

Frequently Asked Questions

What is the IUPAC name of 10-(1-aminocyclopentyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol?
The IUPAC name of 10-(1-aminocyclopentyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol (CID 117467561) is 10-(1-aminocyclopentyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol.
What is the SMILES notation for 10-(1-aminocyclopentyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol?
The canonical SMILES for 10-(1-aminocyclopentyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol is NC1(c2c3c(c(O)c4c2OCCC4)OCCC3)CCCC1.
What is the InChIKey of 10-(1-aminocyclopentyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol?
The InChIKey is BWRQJJMXQBPQIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c18-17(7-1-2-8-17)13-11-5-3-10-21-16(11)14(19)12-6-4-9-20-15(12)13/h19H,1-10,18H2.
What are the key properties of 10-(1-aminocyclopentyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol?
10-(1-aminocyclopentyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol has a molecular weight of 289.38 g/mol, XLogP of 2.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(1-aminocyclopentyl)-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-5-ol is sourced from PubChem (CID 117467561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).