6-[(3-methylmorpholin-4-yl)methyl]-2,3-dihydro-1H-inden-5-ol

C15H21NO2 — CID 3064218

IUPAC6-[(3-methylmorpholin-4-yl)methyl]-2,3-dihydro-1H-inden-5-ol
SMILESCC1COCCN1Cc1cc2c(cc1O)CCC2
InChIInChI=1S/C15H21NO2/c1-11-10-18-6-5-16(11)9-14-7-12-3-2-4-13(12)8-15(14)17/h7-8,11,17H,2-6,9-10H2,1H3
InChIKeyQATLHXRCKJCWMN-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.10
Rot. Bonds2

About 6-[(3-methylmorpholin-4-yl)methyl]-2,3-dihydro-1H-inden-5-ol

6-[(3-methylmorpholin-4-yl)methyl]-2,3-dihydro-1H-inden-5-ol (PubChem CID 3064218) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 6-[(3-methylmorpholin-4-yl)methyl]-2,3-dihydro-1H-inden-5-ol.

Molecular Properties

Compound Name6-[(3-methylmorpholin-4-yl)methyl]-2,3-dihydro-1H-inden-5-ol
PubChem CID3064218
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name6-[(3-methylmorpholin-4-yl)methyl]-2,3-dihydro-1H-inden-5-ol
SMILESCC1COCCN1Cc1cc2c(cc1O)CCC2
InChIInChI=1S/C15H21NO2/c1-11-10-18-6-5-16(11)9-14-7-12-3-2-4-13(12)8-15(14)17/h7-8,11,17H,2-6,9-10H2,1H3
InChIKeyQATLHXRCKJCWMN-UHFFFAOYSA-N
XLogP2.10
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-methylmorpholin-4-yl)methyl]-2,3-dihydro-1H-inden-5-ol?
The IUPAC name of 6-[(3-methylmorpholin-4-yl)methyl]-2,3-dihydro-1H-inden-5-ol (CID 3064218) is 6-[(3-methylmorpholin-4-yl)methyl]-2,3-dihydro-1H-inden-5-ol.
What is the SMILES notation for 6-[(3-methylmorpholin-4-yl)methyl]-2,3-dihydro-1H-inden-5-ol?
The canonical SMILES for 6-[(3-methylmorpholin-4-yl)methyl]-2,3-dihydro-1H-inden-5-ol is CC1COCCN1Cc1cc2c(cc1O)CCC2.
What is the InChIKey of 6-[(3-methylmorpholin-4-yl)methyl]-2,3-dihydro-1H-inden-5-ol?
The InChIKey is QATLHXRCKJCWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-11-10-18-6-5-16(11)9-14-7-12-3-2-4-13(12)8-15(14)17/h7-8,11,17H,2-6,9-10H2,1H3.
What are the key properties of 6-[(3-methylmorpholin-4-yl)methyl]-2,3-dihydro-1H-inden-5-ol?
6-[(3-methylmorpholin-4-yl)methyl]-2,3-dihydro-1H-inden-5-ol has a molecular weight of 247.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-methylmorpholin-4-yl)methyl]-2,3-dihydro-1H-inden-5-ol is sourced from PubChem (CID 3064218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).