5-methoxy-6'-methyl-6'-propan-2-ylspiro[1,2-dihydroindene-3,2'-morpholine]

C17H25NO2 — CID 114497585

IUPAC5-methoxy-6'-methyl-6'-propan-2-ylspiro[1,2-dihydroindene-3,2'-morpholine]
SMILESCOc1ccc2c(c1)C1(CC2)CNCC(C)(C(C)C)O1
InChIInChI=1S/C17H25NO2/c1-12(2)16(3)10-18-11-17(20-16)8-7-13-5-6-14(19-4)9-15(13)17/h5-6,9,12,18H,7-8,10-11H2,1-4H3
InChIKeyCIQSVQQVDIAHSD-UHFFFAOYSA-N
MW275.39 g/mol
LogP2.87
Rot. Bonds2

About 5-methoxy-6'-methyl-6'-propan-2-ylspiro[1,2-dihydroindene-3,2'-morpholine]

5-methoxy-6'-methyl-6'-propan-2-ylspiro[1,2-dihydroindene-3,2'-morpholine] (PubChem CID 114497585) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 5-methoxy-6'-methyl-6'-propan-2-ylspiro[1,2-dihydroindene-3,2'-morpholine].

Molecular Properties

Compound Name5-methoxy-6'-methyl-6'-propan-2-ylspiro[1,2-dihydroindene-3,2'-morpholine]
PubChem CID114497585
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name5-methoxy-6'-methyl-6'-propan-2-ylspiro[1,2-dihydroindene-3,2'-morpholine]
SMILESCOc1ccc2c(c1)C1(CC2)CNCC(C)(C(C)C)O1
InChIInChI=1S/C17H25NO2/c1-12(2)16(3)10-18-11-17(20-16)8-7-13-5-6-14(19-4)9-15(13)17/h5-6,9,12,18H,7-8,10-11H2,1-4H3
InChIKeyCIQSVQQVDIAHSD-UHFFFAOYSA-N
XLogP2.87
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-6'-methyl-6'-propan-2-ylspiro[1,2-dihydroindene-3,2'-morpholine]?
The IUPAC name of 5-methoxy-6'-methyl-6'-propan-2-ylspiro[1,2-dihydroindene-3,2'-morpholine] (CID 114497585) is 5-methoxy-6'-methyl-6'-propan-2-ylspiro[1,2-dihydroindene-3,2'-morpholine].
What is the SMILES notation for 5-methoxy-6'-methyl-6'-propan-2-ylspiro[1,2-dihydroindene-3,2'-morpholine]?
The canonical SMILES for 5-methoxy-6'-methyl-6'-propan-2-ylspiro[1,2-dihydroindene-3,2'-morpholine] is COc1ccc2c(c1)C1(CC2)CNCC(C)(C(C)C)O1.
What is the InChIKey of 5-methoxy-6'-methyl-6'-propan-2-ylspiro[1,2-dihydroindene-3,2'-morpholine]?
The InChIKey is CIQSVQQVDIAHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-12(2)16(3)10-18-11-17(20-16)8-7-13-5-6-14(19-4)9-15(13)17/h5-6,9,12,18H,7-8,10-11H2,1-4H3.
What are the key properties of 5-methoxy-6'-methyl-6'-propan-2-ylspiro[1,2-dihydroindene-3,2'-morpholine]?
5-methoxy-6'-methyl-6'-propan-2-ylspiro[1,2-dihydroindene-3,2'-morpholine] has a molecular weight of 275.39 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-6'-methyl-6'-propan-2-ylspiro[1,2-dihydroindene-3,2'-morpholine] is sourced from PubChem (CID 114497585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).