5-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol

C17H23NO3 — CID 80562702

IUPAC5-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol
SMILESNc1ccc2c(c1)CCC2(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C17H23NO3/c18-14-1-2-15-12(9-14)3-5-17(15,19)13-4-7-21-16(10-13)6-8-20-11-16/h1-2,9,13,19H,3-8,10-11,18H2
InChIKeyBSOPPMOOWKCQIS-UHFFFAOYSA-N
MW289.37 g/mol
LogP1.99
Rot. Bonds1

About 5-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol

5-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol (PubChem CID 80562702) has the molecular formula C17H23NO3 and a molecular weight of 289.37 g/mol. Its IUPAC name is 5-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol.

Molecular Properties

Compound Name5-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol
PubChem CID80562702
Molecular FormulaC17H23NO3
Molecular Weight289.37 g/mol
Exact Mass289.17
IUPAC Name5-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol
SMILESNc1ccc2c(c1)CCC2(O)C1CCOC2(CCOC2)C1
InChIInChI=1S/C17H23NO3/c18-14-1-2-15-12(9-14)3-5-17(15,19)13-4-7-21-16(10-13)6-8-20-11-16/h1-2,9,13,19H,3-8,10-11,18H2
InChIKeyBSOPPMOOWKCQIS-UHFFFAOYSA-N
XLogP1.99
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-1-cyclopropyl-2,3-dihydroinden-1-ol
CID 80562646
1-(6-oxaspiro[4.5]decan-9-yl)-3,4-dihydro-2H-naphthalen-1-ol
CID 79899726
1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclobutan-1-ol
CID 79912746
5-fluoro-1-(oxan-4-yl)-2,3-dihydroinden-1-ol
CID 116531788
2,6-dioxaspiro[4.5]decan-9-yl 5-amino-2-fluorobenzoate
CID 79909001
3-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)cyclohexan-1-ol
CID 80561361
4-chloro-3-(2,6-dioxaspiro[4.5]decan-9-ylsulfinyl)aniline
CID 81201989
2-(4-aminophenyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)ethanone
CID 116549498
N-[(4-aminophenyl)methyl]-N-methyl-2,6-dioxaspiro[4.5]decan-9-amine
CID 79894065
1-(2,6-dioxaspiro[4.5]decan-9-yl)-4-propylcyclohexan-1-ol
CID 79899722
3-(2,6-dioxaspiro[4.5]decan-9-yl)piperidin-3-ol
CID 79902057
(5S,9S)-2,6-dioxaspiro[4.5]decan-9-ol
CID 95335760

Frequently Asked Questions

What is the IUPAC name of 5-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol?
The IUPAC name of 5-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol (CID 80562702) is 5-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol.
What is the SMILES notation for 5-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol?
The canonical SMILES for 5-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol is Nc1ccc2c(c1)CCC2(O)C1CCOC2(CCOC2)C1.
What is the InChIKey of 5-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol?
The InChIKey is BSOPPMOOWKCQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c18-14-1-2-15-12(9-14)3-5-17(15,19)13-4-7-21-16(10-13)6-8-20-11-16/h1-2,9,13,19H,3-8,10-11,18H2.
What are the key properties of 5-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol?
5-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol has a molecular weight of 289.37 g/mol, XLogP of 1.99, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-(2,6-dioxaspiro[4.5]decan-9-yl)-2,3-dihydroinden-1-ol is sourced from PubChem (CID 80562702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).