[(1S,5S,6R,7R)-3-[(1-methylindol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol

C19H24N2O2 — CID 155910935

IUPAC[(1S,5S,6R,7R)-3-[(1-methylindol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
SMILESCn1ccc2cc(CN3C[C@@H]4[C@H](CO)[C@H]5CC[C@]4(C3)O5)ccc21
InChIInChI=1S/C19H24N2O2/c1-20-7-5-14-8-13(2-3-17(14)20)9-21-10-16-15(11-22)18-4-6-19(16,12-21)23-18/h2-3,5,7-8,15-16,18,22H,4,6,9-12H2,1H3/t15-,16+,18+,19+/m0/s1
InChIKeyOITWPSTXJCWLMH-QFHJOOASSA-N
MW312.41 g/mol
LogP2.15
Rot. Bonds3

About [(1S,5S,6R,7R)-3-[(1-methylindol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol

[(1S,5S,6R,7R)-3-[(1-methylindol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol (PubChem CID 155910935) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is [(1S,5S,6R,7R)-3-[(1-methylindol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol.

Molecular Properties

Compound Name[(1S,5S,6R,7R)-3-[(1-methylindol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
PubChem CID155910935
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name[(1S,5S,6R,7R)-3-[(1-methylindol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol
SMILESCn1ccc2cc(CN3C[C@@H]4[C@H](CO)[C@H]5CC[C@]4(C3)O5)ccc21
InChIInChI=1S/C19H24N2O2/c1-20-7-5-14-8-13(2-3-17(14)20)9-21-10-16-15(11-22)18-4-6-19(16,12-21)23-18/h2-3,5,7-8,15-16,18,22H,4,6,9-12H2,1H3/t15-,16+,18+,19+/m0/s1
InChIKeyOITWPSTXJCWLMH-QFHJOOASSA-N
XLogP2.15
TPSA37.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S,5S,6R,7R)-3-[(1-methylindol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol?
The IUPAC name of [(1S,5S,6R,7R)-3-[(1-methylindol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol (CID 155910935) is [(1S,5S,6R,7R)-3-[(1-methylindol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol.
What is the SMILES notation for [(1S,5S,6R,7R)-3-[(1-methylindol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol?
The canonical SMILES for [(1S,5S,6R,7R)-3-[(1-methylindol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol is Cn1ccc2cc(CN3C[C@@H]4[C@H](CO)[C@H]5CC[C@]4(C3)O5)ccc21.
What is the InChIKey of [(1S,5S,6R,7R)-3-[(1-methylindol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol?
The InChIKey is OITWPSTXJCWLMH-QFHJOOASSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-20-7-5-14-8-13(2-3-17(14)20)9-21-10-16-15(11-22)18-4-6-19(16,12-21)23-18/h2-3,5,7-8,15-16,18,22H,4,6,9-12H2,1H3/t15-,16+,18+,19+/m0/s1.
What are the key properties of [(1S,5S,6R,7R)-3-[(1-methylindol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol?
[(1S,5S,6R,7R)-3-[(1-methylindol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol has a molecular weight of 312.41 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S,6R,7R)-3-[(1-methylindol-5-yl)methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]decan-6-yl]methanol is sourced from PubChem (CID 155910935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).