1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-hydroxyethanone

C9H15NO3 — CID 130671896

IUPAC1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CC[C@H]2OCC[C@H]2C1
InChIInChI=1S/C9H15NO3/c11-6-9(12)10-3-1-8-7(5-10)2-4-13-8/h7-8,11H,1-6H2/t7-,8+/m0/s1
InChIKeyKOEXRGPZXJDUGP-JGVFFNPUSA-N
MW185.22 g/mol
LogP-0.38
Rot. Bonds1

About 1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-hydroxyethanone

1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-hydroxyethanone (PubChem CID 130671896) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-hydroxyethanone.

Molecular Properties

Compound Name1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-hydroxyethanone
PubChem CID130671896
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-hydroxyethanone
SMILESO=C(CO)N1CC[C@H]2OCC[C@H]2C1
InChIInChI=1S/C9H15NO3/c11-6-9(12)10-3-1-8-7(5-10)2-4-13-8/h7-8,11H,1-6H2/t7-,8+/m0/s1
InChIKeyKOEXRGPZXJDUGP-JGVFFNPUSA-N
XLogP-0.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-hydroxyethanone with MolForge

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Related Compounds

N-[(2S)-4-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-4-oxobutan-2-yl]cyclopentanecarboxamide
CID 100703789
(4aR,8aS)-N-(2,2,2-trifluoroethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridine-6-carboxamide
CID 124573175
1-(3-cyclobutylazetidin-1-yl)-2-hydroxyethanone
CID 131131784
(2S)-1-[(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-amino-3-methylbutan-1-one
CID 99852576
(3aS,7aR)-5-(2-methylprop-2-enyl)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 131110765
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone
CID 16769494
(2R)-1-[(4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-(2-methoxyethoxy)propan-1-one
CID 124730673
(2S)-1-[(4aS,8aS)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-2-amino-4-methylsulfanylbutan-1-one
CID 99852577
(3aS,7aR)-5-cyclobutyl-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridine
CID 98815743
1-[(3S)-3-hydroxypyrrolidin-1-yl]-2-morpholin-2-ylethanone
CID 107217362
(4aS,8aS)-3-oxo-4,4a,5,7,8,8a-hexahydropyrano[3,2-c]pyridine-6-carboxamide
CID 164729670
2-hydroxy-1-(4-methylpiperidin-1-yl)ethanone;propane
CID 153363552

Frequently Asked Questions

What is the IUPAC name of 1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-hydroxyethanone?
The IUPAC name of 1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-hydroxyethanone (CID 130671896) is 1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-hydroxyethanone.
What is the SMILES notation for 1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-hydroxyethanone?
The canonical SMILES for 1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-hydroxyethanone is O=C(CO)N1CC[C@H]2OCC[C@H]2C1.
What is the InChIKey of 1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-hydroxyethanone?
The InChIKey is KOEXRGPZXJDUGP-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H15NO3/c11-6-9(12)10-3-1-8-7(5-10)2-4-13-8/h7-8,11H,1-6H2/t7-,8+/m0/s1.
What are the key properties of 1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-hydroxyethanone?
1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-hydroxyethanone has a molecular weight of 185.22 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aS,7aR)-3,3a,4,6,7,7a-hexahydro-2H-furo[3,2-c]pyridin-5-yl]-2-hydroxyethanone is sourced from PubChem (CID 130671896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).