1-(2-hydroxy-3,4,4a,9a-tetrahydro-2H-pyrano[2,3-b]indol-9-yl)ethanone

C13H15NO3 — CID 12009231

IUPAC1-(2-hydroxy-3,4,4a,9a-tetrahydro-2H-pyrano[2,3-b]indol-9-yl)ethanone
SMILESCC(=O)N1c2ccccc2C2CCC(O)OC21
InChIInChI=1S/C13H15NO3/c1-8(15)14-11-5-3-2-4-9(11)10-6-7-12(16)17-13(10)14/h2-5,10,12-13,16H,6-7H2,1H3
InChIKeyJHWQYDKLKFEERR-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.59
Rot. Bonds

About 1-(2-hydroxy-3,4,4a,9a-tetrahydro-2H-pyrano[2,3-b]indol-9-yl)ethanone

1-(2-hydroxy-3,4,4a,9a-tetrahydro-2H-pyrano[2,3-b]indol-9-yl)ethanone (PubChem CID 12009231) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(2-hydroxy-3,4,4a,9a-tetrahydro-2H-pyrano[2,3-b]indol-9-yl)ethanone.

Molecular Properties

Compound Name1-(2-hydroxy-3,4,4a,9a-tetrahydro-2H-pyrano[2,3-b]indol-9-yl)ethanone
PubChem CID12009231
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name1-(2-hydroxy-3,4,4a,9a-tetrahydro-2H-pyrano[2,3-b]indol-9-yl)ethanone
SMILESCC(=O)N1c2ccccc2C2CCC(O)OC21
InChIInChI=1S/C13H15NO3/c1-8(15)14-11-5-3-2-4-9(11)10-6-7-12(16)17-13(10)14/h2-5,10,12-13,16H,6-7H2,1H3
InChIKeyJHWQYDKLKFEERR-UHFFFAOYSA-N
XLogP1.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1aS,2S,7bS)-2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl]ethanone
CID 124630057
1-(2-methyl-2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone
CID 15181609
1-[(2S,3S)-2,3-dimethyl-2,3-dihydroindol-1-yl]ethanone
CID 101425318
1-(1,2,3,4,4a,9b-hexahydropyrido[4,3-b]indol-5-yl)ethanone
CID 146675585
methyl (3aR,8bR)-1,2,3a,8b-tetrahydrofuro[2,3-b]indole-4-carboxylate
CID 102498665
1-[(1S)-1-methoxy-1,2,3,4,4a,9a-hexahydrocarbazol-9-yl]ethanone
CID 154720240
1-(2-cyclopropyl-4-hydroxy-3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 139325866
1-[(1R,2R,11S,12S)-13-acetyl-9,13-diazapentacyclo[10.7.1.02,11.03,8.014,19]icosa-3,5,7,14,16,18-hexaen-9-yl]ethanone
CID 11142538
1-acetyl-2-methyl-3,4-dihydro-2H-quinoline-4-carbaldehyde
CID 102567879
1-(2,7b-dihydro-1aH-oxireno[2,3-c]quinolin-3-yl)ethanone
CID 87624738
1-(6-hydroxy-6H-phenanthridin-5-yl)ethanone
CID 14452374
methyl (2R,3S)-1-acetyl-3-hydroxy-2,3-dihydroindole-2-carboxylate
CID 95562403

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3,4,4a,9a-tetrahydro-2H-pyrano[2,3-b]indol-9-yl)ethanone?
The IUPAC name of 1-(2-hydroxy-3,4,4a,9a-tetrahydro-2H-pyrano[2,3-b]indol-9-yl)ethanone (CID 12009231) is 1-(2-hydroxy-3,4,4a,9a-tetrahydro-2H-pyrano[2,3-b]indol-9-yl)ethanone.
What is the SMILES notation for 1-(2-hydroxy-3,4,4a,9a-tetrahydro-2H-pyrano[2,3-b]indol-9-yl)ethanone?
The canonical SMILES for 1-(2-hydroxy-3,4,4a,9a-tetrahydro-2H-pyrano[2,3-b]indol-9-yl)ethanone is CC(=O)N1c2ccccc2C2CCC(O)OC21.
What is the InChIKey of 1-(2-hydroxy-3,4,4a,9a-tetrahydro-2H-pyrano[2,3-b]indol-9-yl)ethanone?
The InChIKey is JHWQYDKLKFEERR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-8(15)14-11-5-3-2-4-9(11)10-6-7-12(16)17-13(10)14/h2-5,10,12-13,16H,6-7H2,1H3.
What are the key properties of 1-(2-hydroxy-3,4,4a,9a-tetrahydro-2H-pyrano[2,3-b]indol-9-yl)ethanone?
1-(2-hydroxy-3,4,4a,9a-tetrahydro-2H-pyrano[2,3-b]indol-9-yl)ethanone has a molecular weight of 233.27 g/mol, XLogP of 1.59, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxy-3,4,4a,9a-tetrahydro-2H-pyrano[2,3-b]indol-9-yl)ethanone is sourced from PubChem (CID 12009231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).