6-[[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one;hydrochloride

C20H23ClN2O3 — CID 175906067

IUPAC6-[[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one;hydrochloride
SMILESCOc1ccc([C@H]2CNC[C@H]2COc2ccc3c(c2)C(=O)NC3)cc1.Cl
InChIInChI=1S/C20H22N2O3.ClH/c1-24-16-5-2-13(3-6-16)19-11-21-9-15(19)12-25-17-7-4-14-10-22-20(23)18(14)8-17;/h2-8,15,19,21H,9-12H2,1H3,(H,22,23);1H/t15-,19+;/m0./s1
InChIKeyZOGHENVVVVVZDR-WRRDZZDISA-N
MW374.87 g/mol
LogP2.74
Rot. Bonds5

About 6-[[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one;hydrochloride

6-[[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one;hydrochloride (PubChem CID 175906067) has the molecular formula C20H23ClN2O3 and a molecular weight of 374.87 g/mol. Its IUPAC name is 6-[[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one;hydrochloride.

Molecular Properties

Compound Name6-[[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one;hydrochloride
PubChem CID175906067
Molecular FormulaC20H23ClN2O3
Molecular Weight374.87 g/mol
Exact Mass374.14
IUPAC Name6-[[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one;hydrochloride
SMILESCOc1ccc([C@H]2CNC[C@H]2COc2ccc3c(c2)C(=O)NC3)cc1.Cl
InChIInChI=1S/C20H22N2O3.ClH/c1-24-16-5-2-13(3-6-16)19-11-21-9-15(19)12-25-17-7-4-14-10-22-20(23)18(14)8-17;/h2-8,15,19,21H,9-12H2,1H3,(H,22,23);1H/t15-,19+;/m0./s1
InChIKeyZOGHENVVVVVZDR-WRRDZZDISA-N
XLogP2.74
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one;hydrochloride 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 6-[[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one;hydrochloride?
The IUPAC name of 6-[[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one;hydrochloride (CID 175906067) is 6-[[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one;hydrochloride.
What is the SMILES notation for 6-[[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one;hydrochloride?
The canonical SMILES for 6-[[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one;hydrochloride is COc1ccc([C@H]2CNC[C@H]2COc2ccc3c(c2)C(=O)NC3)cc1.Cl.
What is the InChIKey of 6-[[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one;hydrochloride?
The InChIKey is ZOGHENVVVVVZDR-WRRDZZDISA-N. The full InChI is InChI=1S/C20H22N2O3.ClH/c1-24-16-5-2-13(3-6-16)19-11-21-9-15(19)12-25-17-7-4-14-10-22-20(23)18(14)8-17;/h2-8,15,19,21H,9-12H2,1H3,(H,22,23);1H/t15-,19+;/m0./s1.
What are the key properties of 6-[[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one;hydrochloride?
6-[[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one;hydrochloride has a molecular weight of 374.87 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S,4S)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methoxy]-2,3-dihydroisoindol-1-one;hydrochloride is sourced from PubChem (CID 175906067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).