(3R)-3-(aminomethyl)-6-chloro-2-methyl-3H-isoindol-1-one

C10H11ClN2O — CID 125453551

IUPAC(3R)-3-(aminomethyl)-6-chloro-2-methyl-3H-isoindol-1-one
SMILESCN1C(=O)c2cc(Cl)ccc2[C@@H]1CN
InChIInChI=1S/C10H11ClN2O/c1-13-9(5-12)7-3-2-6(11)4-8(7)10(13)14/h2-4,9H,5,12H2,1H3/t9-/m0/s1
InChIKeyLUMTVWCCZRHUMA-VIFPVBQESA-N
MW210.66 g/mol
LogP1.43
Rot. Bonds1

About (3R)-3-(aminomethyl)-6-chloro-2-methyl-3H-isoindol-1-one

(3R)-3-(aminomethyl)-6-chloro-2-methyl-3H-isoindol-1-one (PubChem CID 125453551) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is (3R)-3-(aminomethyl)-6-chloro-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name(3R)-3-(aminomethyl)-6-chloro-2-methyl-3H-isoindol-1-one
PubChem CID125453551
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name(3R)-3-(aminomethyl)-6-chloro-2-methyl-3H-isoindol-1-one
SMILESCN1C(=O)c2cc(Cl)ccc2[C@@H]1CN
InChIInChI=1S/C10H11ClN2O/c1-13-9(5-12)7-3-2-6(11)4-8(7)10(13)14/h2-4,9H,5,12H2,1H3/t9-/m0/s1
InChIKeyLUMTVWCCZRHUMA-VIFPVBQESA-N
XLogP1.43
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-(aminomethyl)-6-fluoro-2-methyl-3H-isoindol-1-one
CID 125454965
3-(aminomethyl)-6-chloro-4-methyl-1,3-dihydroquinoxalin-2-one
CID 84624971
methyl 2-[5-[[3-(4-chloro-2-methylphenyl)phenyl]methoxy]-2-methyl-3-oxo-1H-isoindol-1-yl]acetate
CID 58990526
4-(2,4-dichlorophenyl)-1-methylpyrrolidine-2,3,5-trione
CID 90718788
(3S,4S)-3-amino-4-(2,4-dichlorophenyl)-1-methylazetidin-2-one
CID 124504400
5,6-dichloro-2,3-dimethyl-3H-isoindol-1-one
CID 166933181
2-[(1S)-5-chloro-3-oxo-2-(4,4,4-trifluorobutyl)-1H-isoindol-1-yl]-N-(diaminomethylidene)acetamide
CID 69056681
6-chloro-3-methyl-2-(3-methylbenzotriazol-4-yl)-1,2-dihydroquinazolin-4-one
CID 167897359
[5-[4-chloro-2-(trifluoromethyl)phenyl]-1-methylpyrrolidin-3-yl]methanamine
CID 117117198
(3S,4S)-3-(2,4-dichlorophenyl)-2-methyl-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 125369939
16-chloro-10-ethyl-3-hydroxy-9-methyl-1,9,12-triazatetracyclo[9.7.0.02,7.013,18]octadeca-2(7),3,5,11,13(18),14,16-heptaen-8-one
CID 177154640
[7-chloro-4-(1,4-diazepan-1-yl)-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methanamine
CID 82584864

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(aminomethyl)-6-chloro-2-methyl-3H-isoindol-1-one?
The IUPAC name of (3R)-3-(aminomethyl)-6-chloro-2-methyl-3H-isoindol-1-one (CID 125453551) is (3R)-3-(aminomethyl)-6-chloro-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for (3R)-3-(aminomethyl)-6-chloro-2-methyl-3H-isoindol-1-one?
The canonical SMILES for (3R)-3-(aminomethyl)-6-chloro-2-methyl-3H-isoindol-1-one is CN1C(=O)c2cc(Cl)ccc2[C@@H]1CN.
What is the InChIKey of (3R)-3-(aminomethyl)-6-chloro-2-methyl-3H-isoindol-1-one?
The InChIKey is LUMTVWCCZRHUMA-VIFPVBQESA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-13-9(5-12)7-3-2-6(11)4-8(7)10(13)14/h2-4,9H,5,12H2,1H3/t9-/m0/s1.
What are the key properties of (3R)-3-(aminomethyl)-6-chloro-2-methyl-3H-isoindol-1-one?
(3R)-3-(aminomethyl)-6-chloro-2-methyl-3H-isoindol-1-one has a molecular weight of 210.66 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(aminomethyl)-6-chloro-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 125453551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).