(3R)-3-[2-[(3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyridin-7-yl]ethyl]-3-hydroxy-1H-indol-2-one

C19H26N2O3 — CID 132524062

IUPAC(3R)-3-[2-[(3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyridin-7-yl]ethyl]-3-hydroxy-1H-indol-2-one
SMILESCC[C@]12CCCN(CC[C@]3(O)C(=O)Nc4ccccc43)[C@H]1OCC2
InChIInChI=1S/C19H26N2O3/c1-2-18-8-5-11-21(17(18)24-13-10-18)12-9-19(23)14-6-3-4-7-15(14)20-16(19)22/h3-4,6-7,17,23H,2,5,8-13H2,1H3,(H,20,22)/t17-,18+,19+/m0/s1
InChIKeyFQCHUCFOOQKMIL-IPMKNSEASA-N
MW330.43 g/mol
LogP2.45
Rot. Bonds4

About (3R)-3-[2-[(3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyridin-7-yl]ethyl]-3-hydroxy-1H-indol-2-one

(3R)-3-[2-[(3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyridin-7-yl]ethyl]-3-hydroxy-1H-indol-2-one (PubChem CID 132524062) has the molecular formula C19H26N2O3 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3R)-3-[2-[(3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyridin-7-yl]ethyl]-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-[2-[(3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyridin-7-yl]ethyl]-3-hydroxy-1H-indol-2-one
PubChem CID132524062
Molecular FormulaC19H26N2O3
Molecular Weight330.43 g/mol
Exact Mass330.19
IUPAC Name(3R)-3-[2-[(3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyridin-7-yl]ethyl]-3-hydroxy-1H-indol-2-one
SMILESCC[C@]12CCCN(CC[C@]3(O)C(=O)Nc4ccccc43)[C@H]1OCC2
InChIInChI=1S/C19H26N2O3/c1-2-18-8-5-11-21(17(18)24-13-10-18)12-9-19(23)14-6-3-4-7-15(14)20-16(19)22/h3-4,6-7,17,23H,2,5,8-13H2,1H3,(H,20,22)/t17-,18+,19+/m0/s1
InChIKeyFQCHUCFOOQKMIL-IPMKNSEASA-N
XLogP2.45
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3R)-3-[2-[(3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyridin-7-yl]ethyl]-3-hydroxy-1H-indol-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-[2-[(3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyridin-7-yl]ethyl]-3-hydroxy-1H-indol-2-one?
The IUPAC name of (3R)-3-[2-[(3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyridin-7-yl]ethyl]-3-hydroxy-1H-indol-2-one (CID 132524062) is (3R)-3-[2-[(3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyridin-7-yl]ethyl]-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3R)-3-[2-[(3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyridin-7-yl]ethyl]-3-hydroxy-1H-indol-2-one?
The canonical SMILES for (3R)-3-[2-[(3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyridin-7-yl]ethyl]-3-hydroxy-1H-indol-2-one is CC[C@]12CCCN(CC[C@]3(O)C(=O)Nc4ccccc43)[C@H]1OCC2.
What is the InChIKey of (3R)-3-[2-[(3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyridin-7-yl]ethyl]-3-hydroxy-1H-indol-2-one?
The InChIKey is FQCHUCFOOQKMIL-IPMKNSEASA-N. The full InChI is InChI=1S/C19H26N2O3/c1-2-18-8-5-11-21(17(18)24-13-10-18)12-9-19(23)14-6-3-4-7-15(14)20-16(19)22/h3-4,6-7,17,23H,2,5,8-13H2,1H3,(H,20,22)/t17-,18+,19+/m0/s1.
What are the key properties of (3R)-3-[2-[(3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyridin-7-yl]ethyl]-3-hydroxy-1H-indol-2-one?
(3R)-3-[2-[(3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyridin-7-yl]ethyl]-3-hydroxy-1H-indol-2-one has a molecular weight of 330.43 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[2-[(3aR,7aS)-3a-ethyl-2,3,4,5,6,7a-hexahydrofuro[2,3-b]pyridin-7-yl]ethyl]-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 132524062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).