2-[(9R)-9-[3-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine

C27H35NO2 — CID 147444209

IUPAC2-[(9R)-9-[3-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
SMILESCO[C@H]1Cc2ccccc2[C@@H]1CCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1
InChIInChI=1S/C27H35NO2/c1-29-24-19-21-9-2-3-10-22(21)23(24)11-8-13-26(25-12-4-7-17-28-25)16-18-30-27(20-26)14-5-6-15-27/h2-4,7,9-10,12,17,23-24H,5-6,8,11,13-16,18-20H2,1H3/t23-,24-,26+/m0/s1
InChIKeyDWULOWPSNIFBPJ-KYPHJKQUSA-N
MW405.58 g/mol
LogP5.97
Rot. Bonds6

About 2-[(9R)-9-[3-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine

2-[(9R)-9-[3-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine (PubChem CID 147444209) has the molecular formula C27H35NO2 and a molecular weight of 405.58 g/mol. Its IUPAC name is 2-[(9R)-9-[3-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine.

Molecular Properties

Compound Name2-[(9R)-9-[3-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
PubChem CID147444209
Molecular FormulaC27H35NO2
Molecular Weight405.58 g/mol
Exact Mass405.27
IUPAC Name2-[(9R)-9-[3-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine
SMILESCO[C@H]1Cc2ccccc2[C@@H]1CCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1
InChIInChI=1S/C27H35NO2/c1-29-24-19-21-9-2-3-10-22(21)23(24)11-8-13-26(25-12-4-7-17-28-25)16-18-30-27(20-26)14-5-6-15-27/h2-4,7,9-10,12,17,23-24H,5-6,8,11,13-16,18-20H2,1H3/t23-,24-,26+/m0/s1
InChIKeyDWULOWPSNIFBPJ-KYPHJKQUSA-N
XLogP5.97
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.58
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(9R)-9-[3-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The IUPAC name of 2-[(9R)-9-[3-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine (CID 147444209) is 2-[(9R)-9-[3-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine.
What is the SMILES notation for 2-[(9R)-9-[3-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The canonical SMILES for 2-[(9R)-9-[3-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine is CO[C@H]1Cc2ccccc2[C@@H]1CCC[C@@]1(c2ccccn2)CCOC2(CCCC2)C1.
What is the InChIKey of 2-[(9R)-9-[3-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
The InChIKey is DWULOWPSNIFBPJ-KYPHJKQUSA-N. The full InChI is InChI=1S/C27H35NO2/c1-29-24-19-21-9-2-3-10-22(21)23(24)11-8-13-26(25-12-4-7-17-28-25)16-18-30-27(20-26)14-5-6-15-27/h2-4,7,9-10,12,17,23-24H,5-6,8,11,13-16,18-20H2,1H3/t23-,24-,26+/m0/s1.
What are the key properties of 2-[(9R)-9-[3-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine?
2-[(9R)-9-[3-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine has a molecular weight of 405.58 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9R)-9-[3-[(1S,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]propyl]-6-oxaspiro[4.5]decan-9-yl]pyridine is sourced from PubChem (CID 147444209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).