(3R)-3-methoxy-2-[[(2S)-oxolan-2-yl]methyl]-3H-isoindol-1-one

C14H17NO3 — CID 41121461

IUPAC(3R)-3-methoxy-2-[[(2S)-oxolan-2-yl]methyl]-3H-isoindol-1-one
SMILESCO[C@@H]1c2ccccc2C(=O)N1C[C@@H]1CCCO1
InChIInChI=1S/C14H17NO3/c1-17-14-12-7-3-2-6-11(12)13(16)15(14)9-10-5-4-8-18-10/h2-3,6-7,10,14H,4-5,8-9H2,1H3/t10-,14+/m0/s1
InChIKeyQAVVPOAUUGGEFP-IINYFYTJSA-N
MW247.29 g/mol
LogP1.97
Rot. Bonds3

About (3R)-3-methoxy-2-[[(2S)-oxolan-2-yl]methyl]-3H-isoindol-1-one

(3R)-3-methoxy-2-[[(2S)-oxolan-2-yl]methyl]-3H-isoindol-1-one (PubChem CID 41121461) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (3R)-3-methoxy-2-[[(2S)-oxolan-2-yl]methyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name(3R)-3-methoxy-2-[[(2S)-oxolan-2-yl]methyl]-3H-isoindol-1-one
PubChem CID41121461
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(3R)-3-methoxy-2-[[(2S)-oxolan-2-yl]methyl]-3H-isoindol-1-one
SMILESCO[C@@H]1c2ccccc2C(=O)N1C[C@@H]1CCCO1
InChIInChI=1S/C14H17NO3/c1-17-14-12-7-3-2-6-11(12)13(16)15(14)9-10-5-4-8-18-10/h2-3,6-7,10,14H,4-5,8-9H2,1H3/t10-,14+/m0/s1
InChIKeyQAVVPOAUUGGEFP-IINYFYTJSA-N
XLogP1.97
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-3-methoxy-2-[[(2S)-oxolan-2-yl]methyl]-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

(3R)-3-(aminomethyl)-2-[[(2R)-oxolan-2-yl]methyl]-3H-isoindol-1-one
CID 125450679
(3S,4S)-3-(4-methoxyphenyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydroisoquinoline-4-carboxylic acid
CID 94217898
(3R,4R)-3-(4-methoxyphenyl)-1-oxo-2-[[(2S)-oxolan-2-yl]methyl]-3,4-dihydroisoquinoline-4-carboxylic acid
CID 94217897
2-(2-hydroxy-3-methoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 17396250
3-(oxolan-2-ylmethyl)-2-(2-propan-2-yloxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779750
(2R)-2-(4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41038616
(2S)-3-[[(2R)-oxolan-2-yl]methyl]-2-(2,3,4-trimethoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 26638808
3-(oxolan-2-ylmethyl)-2-(2-propoxyphenyl)-1,2-dihydroquinazolin-4-one
CID 54779735
(2R)-2-naphthalen-1-yl-3-[[(2R)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 26638752
2-[2-(2-methylpropoxy)phenyl]-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 54779758
2-(2-butoxyphenyl)-3-(oxolan-2-ylmethyl)-1,2-dihydroquinazolin-4-one
CID 54779736
methyl 4-[(2R)-4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-2-yl]benzoate
CID 25337703

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methoxy-2-[[(2S)-oxolan-2-yl]methyl]-3H-isoindol-1-one?
The IUPAC name of (3R)-3-methoxy-2-[[(2S)-oxolan-2-yl]methyl]-3H-isoindol-1-one (CID 41121461) is (3R)-3-methoxy-2-[[(2S)-oxolan-2-yl]methyl]-3H-isoindol-1-one.
What is the SMILES notation for (3R)-3-methoxy-2-[[(2S)-oxolan-2-yl]methyl]-3H-isoindol-1-one?
The canonical SMILES for (3R)-3-methoxy-2-[[(2S)-oxolan-2-yl]methyl]-3H-isoindol-1-one is CO[C@@H]1c2ccccc2C(=O)N1C[C@@H]1CCCO1.
What is the InChIKey of (3R)-3-methoxy-2-[[(2S)-oxolan-2-yl]methyl]-3H-isoindol-1-one?
The InChIKey is QAVVPOAUUGGEFP-IINYFYTJSA-N. The full InChI is InChI=1S/C14H17NO3/c1-17-14-12-7-3-2-6-11(12)13(16)15(14)9-10-5-4-8-18-10/h2-3,6-7,10,14H,4-5,8-9H2,1H3/t10-,14+/m0/s1.
What are the key properties of (3R)-3-methoxy-2-[[(2S)-oxolan-2-yl]methyl]-3H-isoindol-1-one?
(3R)-3-methoxy-2-[[(2S)-oxolan-2-yl]methyl]-3H-isoindol-1-one has a molecular weight of 247.29 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methoxy-2-[[(2S)-oxolan-2-yl]methyl]-3H-isoindol-1-one is sourced from PubChem (CID 41121461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).