5-[(3aS,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]-2-methoxypyridin-3-ol

C15H22N2O2 — CID 177061500

IUPAC5-[(3aS,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]-2-methoxypyridin-3-ol
SMILESCOc1ncc([C@@]23CCCC[C@@H]2N(C)CC3)cc1O
InChIInChI=1S/C15H22N2O2/c1-17-8-7-15(6-4-3-5-13(15)17)11-9-12(18)14(19-2)16-10-11/h9-10,13,18H,3-8H2,1-2H3/t13-,15-/m0/s1
InChIKeyCCFVMHAGMWFWTJ-ZFWWWQNUSA-N
MW262.35 g/mol
LogP2.31
Rot. Bonds2

About 5-[(3aS,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]-2-methoxypyridin-3-ol

5-[(3aS,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]-2-methoxypyridin-3-ol (PubChem CID 177061500) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 5-[(3aS,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]-2-methoxypyridin-3-ol.

Molecular Properties

Compound Name5-[(3aS,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]-2-methoxypyridin-3-ol
PubChem CID177061500
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name5-[(3aS,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]-2-methoxypyridin-3-ol
SMILESCOc1ncc([C@@]23CCCC[C@@H]2N(C)CC3)cc1O
InChIInChI=1S/C15H22N2O2/c1-17-8-7-15(6-4-3-5-13(15)17)11-9-12(18)14(19-2)16-10-11/h9-10,13,18H,3-8H2,1-2H3/t13-,15-/m0/s1
InChIKeyCCFVMHAGMWFWTJ-ZFWWWQNUSA-N
XLogP2.31
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3aR,7aR)-3a-(5,6-dimethoxy-3-pyridinyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indole
CID 177061402
(3aS,7aR)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indole
CID 101424691
(3aR,7aR)-3a-(3,4-dimethoxyphenyl)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indole
CID 10989483
6-[(3aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]-1,3-dimethylimidazo[4,5-b]pyridin-3-ium
CID 177061411
3-[(3aR,7aR)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]phenol
CID 102234492
3-[(3aS,6aS)-1-methyl-2,3,4,5,6,6a-hexahydrocyclopenta[b]pyrrol-3a-yl]phenol
CID 102361150
6-[(3aS,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]-2,2-difluoro-3-methyl-1,3-benzoxazole
CID 177061504
2-ethanimidoyl-N-methyl-5-(1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl)aniline
CID 177061440
methyl (3aS,7aS)-3a-(3,4-dimethoxyphenyl)-3,4,5,6,7,7a-hexahydro-2H-indole-1-carboxylate
CID 10781901
[2-[(3aR,7aR)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]-6-methoxyphenyl] trifluoromethanesulfonate
CID 102234491
(1R,9R,10R)-4-methoxy-17-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-3-ol
CID 5492872
2-(1-methoxycyclopropyl)-1-methylpyrrolidine
CID 168995708

Frequently Asked Questions

What is the IUPAC name of 5-[(3aS,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]-2-methoxypyridin-3-ol?
The IUPAC name of 5-[(3aS,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]-2-methoxypyridin-3-ol (CID 177061500) is 5-[(3aS,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]-2-methoxypyridin-3-ol.
What is the SMILES notation for 5-[(3aS,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]-2-methoxypyridin-3-ol?
The canonical SMILES for 5-[(3aS,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]-2-methoxypyridin-3-ol is COc1ncc([C@@]23CCCC[C@@H]2N(C)CC3)cc1O.
What is the InChIKey of 5-[(3aS,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]-2-methoxypyridin-3-ol?
The InChIKey is CCFVMHAGMWFWTJ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-17-8-7-15(6-4-3-5-13(15)17)11-9-12(18)14(19-2)16-10-11/h9-10,13,18H,3-8H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of 5-[(3aS,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]-2-methoxypyridin-3-ol?
5-[(3aS,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]-2-methoxypyridin-3-ol has a molecular weight of 262.35 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3aS,7aS)-1-methyl-3,4,5,6,7,7a-hexahydro-2H-indol-3a-yl]-2-methoxypyridin-3-ol is sourced from PubChem (CID 177061500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).