2-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-3H-isoindol-1-one

C13H15NO3 — CID 175936007

IUPAC2-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-3H-isoindol-1-one
SMILES[2H]C([2H])(O)C1(C([2H])([2H])ON2Cc3ccccc3C2=O)CC1
InChIInChI=1S/C13H15NO3/c15-8-13(5-6-13)9-17-14-7-10-3-1-2-4-11(10)12(14)16/h1-4,15H,5-9H2/i8D2,9D2
InChIKeyRFIAWPRFJJTTJI-LZMSFWOYSA-N
MW237.29 g/mol
LogP1.35
Rot. Bonds4

About 2-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-3H-isoindol-1-one

2-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-3H-isoindol-1-one (PubChem CID 175936007) has the molecular formula C13H15NO3 and a molecular weight of 237.29 g/mol. Its IUPAC name is 2-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-3H-isoindol-1-one
PubChem CID175936007
Molecular FormulaC13H15NO3
Molecular Weight237.29 g/mol
Exact Mass237.13
IUPAC Name2-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-3H-isoindol-1-one
SMILES[2H]C([2H])(O)C1(C([2H])([2H])ON2Cc3ccccc3C2=O)CC1
InChIInChI=1S/C13H15NO3/c15-8-13(5-6-13)9-17-14-7-10-3-1-2-4-11(10)12(14)16/h1-4,15H,5-9H2/i8D2,9D2
InChIKeyRFIAWPRFJJTTJI-LZMSFWOYSA-N
XLogP1.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-3H-isoindol-1-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

2-propan-2-yloxy-3H-isoindol-1-one
CID 89303277
2-[(1-methyltetrazol-5-yl)methoxy]-3H-isoindol-1-one
CID 137389821
2-(azetidin-3-yloxy)-3H-isoindol-1-one
CID 175803051
2-bromo-3H-isoindol-1-one
CID 86611253
(2S)-3-methyl-2-[(2-methylpropan-2-yl)oxycarbonyl-[2-[(3-oxo-1H-isoindol-2-yl)oxy]ethyl]amino]butanoic acid
CID 155196821
2-stannyl-3H-isoindol-1-one
CID 151195244
2-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-4H-isoquinoline-1,3-dione
CID 114757379
1-(3-oxo-1H-isoindol-2-yl)cyclopropane-1-carboxylic acid
CID 166000582
2-[(E)-3-hydroxyprop-1-enyl]-3H-isoindol-1-one
CID 153337388
2-[1-(hydroxymethyl)cyclopentyl]-4H-isoquinoline-1,3-dione
CID 62522144
2-(aminomethyl)-3H-isoindol-1-one
CID 143012246
(3-oxo-1H-isoindol-2-yl)methyl acetate
CID 23274019

Frequently Asked Questions

What is the IUPAC name of 2-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-3H-isoindol-1-one?
The IUPAC name of 2-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-3H-isoindol-1-one (CID 175936007) is 2-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-3H-isoindol-1-one.
What is the SMILES notation for 2-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-3H-isoindol-1-one?
The canonical SMILES for 2-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-3H-isoindol-1-one is [2H]C([2H])(O)C1(C([2H])([2H])ON2Cc3ccccc3C2=O)CC1.
What is the InChIKey of 2-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-3H-isoindol-1-one?
The InChIKey is RFIAWPRFJJTTJI-LZMSFWOYSA-N. The full InChI is InChI=1S/C13H15NO3/c15-8-13(5-6-13)9-17-14-7-10-3-1-2-4-11(10)12(14)16/h1-4,15H,5-9H2/i8D2,9D2.
What are the key properties of 2-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-3H-isoindol-1-one?
2-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-3H-isoindol-1-one has a molecular weight of 237.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dideuterio-[1-[dideuterio(hydroxy)methyl]cyclopropyl]methoxy]-3H-isoindol-1-one is sourced from PubChem (CID 175936007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).