(1'S,6'R,9'R)-7'-benzyl-9'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-7-azabicyclo[4.2.1]nonane]-8'-one

C19H25NO4 — CID 10592610

IUPAC(1'S,6'R,9'R)-7'-benzyl-9'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-7-azabicyclo[4.2.1]nonane]-8'-one
SMILESCOC[C@@H]1[C@@H]2CCC3(C[C@H]1N(Cc1ccccc1)C2=O)OCCO3
InChIInChI=1S/C19H25NO4/c1-22-13-16-15-7-8-19(23-9-10-24-19)11-17(16)20(18(15)21)12-14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3/t15-,16+,17+/m0/s1
InChIKeySONZOFSRSFONPH-GVDBMIGSSA-N
MW331.41 g/mol
LogP2.20
Rot. Bonds4

About (1'S,6'R,9'R)-7'-benzyl-9'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-7-azabicyclo[4.2.1]nonane]-8'-one

(1'S,6'R,9'R)-7'-benzyl-9'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-7-azabicyclo[4.2.1]nonane]-8'-one (PubChem CID 10592610) has the molecular formula C19H25NO4 and a molecular weight of 331.41 g/mol. Its IUPAC name is (1'S,6'R,9'R)-7'-benzyl-9'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-7-azabicyclo[4.2.1]nonane]-8'-one.

Molecular Properties

Compound Name(1'S,6'R,9'R)-7'-benzyl-9'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-7-azabicyclo[4.2.1]nonane]-8'-one
PubChem CID10592610
Molecular FormulaC19H25NO4
Molecular Weight331.41 g/mol
Exact Mass331.18
IUPAC Name(1'S,6'R,9'R)-7'-benzyl-9'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-7-azabicyclo[4.2.1]nonane]-8'-one
SMILESCOC[C@@H]1[C@@H]2CCC3(C[C@H]1N(Cc1ccccc1)C2=O)OCCO3
InChIInChI=1S/C19H25NO4/c1-22-13-16-15-7-8-19(23-9-10-24-19)11-17(16)20(18(15)21)12-14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3/t15-,16+,17+/m0/s1
InChIKeySONZOFSRSFONPH-GVDBMIGSSA-N
XLogP2.20
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.41
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1'S,6'R,9'R)-7'-benzyl-9'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-7-azabicyclo[4.2.1]nonane]-8'-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[(1S)-1-(3-fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one
CID 59963910
1-[1-(3-Fluorophenyl)propyl]-3-[3-(2-methyl-1,3-dioxolan-2-yl)propyl]pyrrolidin-2-one
CID 20674648
1-benzyl-5(R)-methyl-3(S)-[2-(2-methyl-[1,3]dioxolan-2-yl)-ethyl]-pyrrolidin-2-one
CID 18394777
1-benzyl-5(S)-benzyl-3(S)-[2-(2-methyl-[1,3]dioxolan-2-yl)-ethyl]-pyrrolidin-2-one
CID 18394779
1-benzyl-5(S)-iodomethyl-3(S)-[2-(2-methyl-[1,3]dioxolan-2-yl)-ethyl]-pyrrolidin-2-one
CID 18394781
1-Benzyl-5-methyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
CID 22008774
1,5-Dibenzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
CID 22008780
1-Benzyl-5-(iodomethyl)-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
CID 22008781
(3S,5R)-1-benzyl-5-ethyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]pyrrolidin-2-one
CID 59951644
(3S,5S)-5-benzyl-3-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]-1-(2-oxopropyl)pyrrolidin-2-one
CID 59951651
(1S,4S,7R,8R)-6-benzyl-1-hydroxy-10-oxa-6-azatricyclo[5.3.1.04,8]undecan-5-one
CID 10635979
(1'S,6'R)-7'-benzyl-9'-methylidenespiro[1,3-dioxolane-2,4'-7-azabicyclo[4.2.1]nonane]-8'-one
CID 10685550

Frequently Asked Questions

What is the IUPAC name of (1'S,6'R,9'R)-7'-benzyl-9'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-7-azabicyclo[4.2.1]nonane]-8'-one?
The IUPAC name of (1'S,6'R,9'R)-7'-benzyl-9'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-7-azabicyclo[4.2.1]nonane]-8'-one (CID 10592610) is (1'S,6'R,9'R)-7'-benzyl-9'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-7-azabicyclo[4.2.1]nonane]-8'-one.
What is the SMILES notation for (1'S,6'R,9'R)-7'-benzyl-9'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-7-azabicyclo[4.2.1]nonane]-8'-one?
The canonical SMILES for (1'S,6'R,9'R)-7'-benzyl-9'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-7-azabicyclo[4.2.1]nonane]-8'-one is COC[C@@H]1[C@@H]2CCC3(C[C@H]1N(Cc1ccccc1)C2=O)OCCO3.
What is the InChIKey of (1'S,6'R,9'R)-7'-benzyl-9'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-7-azabicyclo[4.2.1]nonane]-8'-one?
The InChIKey is SONZOFSRSFONPH-GVDBMIGSSA-N. The full InChI is InChI=1S/C19H25NO4/c1-22-13-16-15-7-8-19(23-9-10-24-19)11-17(16)20(18(15)21)12-14-5-3-2-4-6-14/h2-6,15-17H,7-13H2,1H3/t15-,16+,17+/m0/s1.
What are the key properties of (1'S,6'R,9'R)-7'-benzyl-9'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-7-azabicyclo[4.2.1]nonane]-8'-one?
(1'S,6'R,9'R)-7'-benzyl-9'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-7-azabicyclo[4.2.1]nonane]-8'-one has a molecular weight of 331.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,6'R,9'R)-7'-benzyl-9'-(methoxymethyl)spiro[1,3-dioxolane-2,4'-7-azabicyclo[4.2.1]nonane]-8'-one is sourced from PubChem (CID 10592610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).