1-[(3aR,7aS)-3a-(2-hydroxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-(1H-indol-3-yl)ethanone

C19H24N2O3 — CID 155929870

IUPAC1-[(3aR,7aS)-3a-(2-hydroxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CC[C@@H]2OCC[C@]2(CCO)C1
InChIInChI=1S/C19H24N2O3/c22-9-6-19-7-10-24-17(19)5-8-21(13-19)18(23)11-14-12-20-16-4-2-1-3-15(14)16/h1-4,12,17,20,22H,5-11,13H2/t17-,19+/m0/s1
InChIKeyANRIVLUWWWEJGT-PKOBYXMFSA-N
MW328.41 g/mol
LogP2.10
Rot. Bonds4

About 1-[(3aR,7aS)-3a-(2-hydroxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-(1H-indol-3-yl)ethanone

1-[(3aR,7aS)-3a-(2-hydroxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 155929870) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is 1-[(3aR,7aS)-3a-(2-hydroxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(3aR,7aS)-3a-(2-hydroxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID155929870
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name1-[(3aR,7aS)-3a-(2-hydroxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-(1H-indol-3-yl)ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CC[C@@H]2OCC[C@]2(CCO)C1
InChIInChI=1S/C19H24N2O3/c22-9-6-19-7-10-24-17(19)5-8-21(13-19)18(23)11-14-12-20-16-4-2-1-3-15(14)16/h1-4,12,17,20,22H,5-11,13H2/t17-,19+/m0/s1
InChIKeyANRIVLUWWWEJGT-PKOBYXMFSA-N
XLogP2.10
TPSA65.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(3aR,7aS)-3a-(2-hydroxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-(1H-indol-3-yl)ethanone with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[(3aR,7aS)-3a-(2-hydroxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[(3aR,7aS)-3a-(2-hydroxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-(1H-indol-3-yl)ethanone (CID 155929870) is 1-[(3aR,7aS)-3a-(2-hydroxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[(3aR,7aS)-3a-(2-hydroxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[(3aR,7aS)-3a-(2-hydroxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-(1H-indol-3-yl)ethanone is O=C(Cc1c[nH]c2ccccc12)N1CC[C@@H]2OCC[C@]2(CCO)C1.
What is the InChIKey of 1-[(3aR,7aS)-3a-(2-hydroxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is ANRIVLUWWWEJGT-PKOBYXMFSA-N. The full InChI is InChI=1S/C19H24N2O3/c22-9-6-19-7-10-24-17(19)5-8-21(13-19)18(23)11-14-12-20-16-4-2-1-3-15(14)16/h1-4,12,17,20,22H,5-11,13H2/t17-,19+/m0/s1.
What are the key properties of 1-[(3aR,7aS)-3a-(2-hydroxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-(1H-indol-3-yl)ethanone?
1-[(3aR,7aS)-3a-(2-hydroxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 328.41 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3aR,7aS)-3a-(2-hydroxyethyl)-2,3,4,6,7,7a-hexahydrofuro[3,2-c]pyridin-5-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 155929870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).