(1S,2R,3S,5S,6S)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)spiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one

C19H24N2O3 — CID 15884898

IUPAC(1S,2R,3S,5S,6S)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)spiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one
SMILESCC(=O)C[C@@H]1C[C@@H]2N[C@@H](C[C@@]23C(=O)N(C)c2ccccc23)[C@@H]1CO
InChIInChI=1S/C19H24N2O3/c1-11(23)7-12-8-17-19(9-15(20-17)13(12)10-22)14-5-3-4-6-16(14)21(2)18(19)24/h3-6,12-13,15,17,20,22H,7-10H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1
InChIKeyOBKLTAKGMJSCGE-PYEWSWHRSA-N
MW328.41 g/mol
LogP1.24
Rot. Bonds3

About (1S,2R,3S,5S,6S)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)spiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one

(1S,2R,3S,5S,6S)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)spiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one (PubChem CID 15884898) has the molecular formula C19H24N2O3 and a molecular weight of 328.41 g/mol. Its IUPAC name is (1S,2R,3S,5S,6S)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)spiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one.

Molecular Properties

Compound Name(1S,2R,3S,5S,6S)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)spiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one
PubChem CID15884898
Molecular FormulaC19H24N2O3
Molecular Weight328.41 g/mol
Exact Mass328.18
IUPAC Name(1S,2R,3S,5S,6S)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)spiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one
SMILESCC(=O)C[C@@H]1C[C@@H]2N[C@@H](C[C@@]23C(=O)N(C)c2ccccc23)[C@@H]1CO
InChIInChI=1S/C19H24N2O3/c1-11(23)7-12-8-17-19(9-15(20-17)13(12)10-22)14-5-3-4-6-16(14)21(2)18(19)24/h3-6,12-13,15,17,20,22H,7-10H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1
InChIKeyOBKLTAKGMJSCGE-PYEWSWHRSA-N
XLogP1.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1S,2R,3S,5S,6S)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)spiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1S,2R,3S,5S,6S)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)spiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one?
The IUPAC name of (1S,2R,3S,5S,6S)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)spiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one (CID 15884898) is (1S,2R,3S,5S,6S)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)spiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one.
What is the SMILES notation for (1S,2R,3S,5S,6S)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)spiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one?
The canonical SMILES for (1S,2R,3S,5S,6S)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)spiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one is CC(=O)C[C@@H]1C[C@@H]2N[C@@H](C[C@@]23C(=O)N(C)c2ccccc23)[C@@H]1CO.
What is the InChIKey of (1S,2R,3S,5S,6S)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)spiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one?
The InChIKey is OBKLTAKGMJSCGE-PYEWSWHRSA-N. The full InChI is InChI=1S/C19H24N2O3/c1-11(23)7-12-8-17-19(9-15(20-17)13(12)10-22)14-5-3-4-6-16(14)21(2)18(19)24/h3-6,12-13,15,17,20,22H,7-10H2,1-2H3/t12-,13-,15+,17+,19+/m1/s1.
What are the key properties of (1S,2R,3S,5S,6S)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)spiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one?
(1S,2R,3S,5S,6S)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)spiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one has a molecular weight of 328.41 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R,3S,5S,6S)-2-(hydroxymethyl)-1'-methyl-3-(2-oxopropyl)spiro[8-azabicyclo[3.2.1]octane-6,3'-indole]-2'-one is sourced from PubChem (CID 15884898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).