(3S)-3-amino-6-chloro-3,7-dimethyl-1H-indol-2-one

C10H11ClN2O — CID 130682503

IUPAC(3S)-3-amino-6-chloro-3,7-dimethyl-1H-indol-2-one
SMILESCc1c(Cl)ccc2c1NC(=O)[C@@]2(C)N
InChIInChI=1S/C10H11ClN2O/c1-5-7(11)4-3-6-8(5)13-9(14)10(6,2)12/h3-4H,12H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyRPBBLWGSIFUDGM-JTQLQIEISA-N
MW210.66 g/mol
LogP1.77
Rot. Bonds

About (3S)-3-amino-6-chloro-3,7-dimethyl-1H-indol-2-one

(3S)-3-amino-6-chloro-3,7-dimethyl-1H-indol-2-one (PubChem CID 130682503) has the molecular formula C10H11ClN2O and a molecular weight of 210.66 g/mol. Its IUPAC name is (3S)-3-amino-6-chloro-3,7-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-3-amino-6-chloro-3,7-dimethyl-1H-indol-2-one
PubChem CID130682503
Molecular FormulaC10H11ClN2O
Molecular Weight210.66 g/mol
Exact Mass210.06
IUPAC Name(3S)-3-amino-6-chloro-3,7-dimethyl-1H-indol-2-one
SMILESCc1c(Cl)ccc2c1NC(=O)[C@@]2(C)N
InChIInChI=1S/C10H11ClN2O/c1-5-7(11)4-3-6-8(5)13-9(14)10(6,2)12/h3-4H,12H2,1-2H3,(H,13,14)/t10-/m0/s1
InChIKeyRPBBLWGSIFUDGM-JTQLQIEISA-N
XLogP1.77
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.66
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3,6,7-trimethyl-1H-indol-2-one
CID 131128791
(3R)-3-amino-6-bromo-3,7-dimethyl-1H-indol-2-one
CID 130649300
6-chloro-3,3-bis(1,2-dimethylindol-3-yl)-7-methyl-1H-indol-2-one
CID 4079978
3-amino-6-fluoro-3-methyl-1H-indol-2-one
CID 130059248
(3S)-3-amino-6-fluoro-3-methyl-1H-indol-2-one
CID 130731291
6-chloro-7-fluoro-3,3-dimethyl-1H-indol-2-one
CID 80500965
(3S)-3-amino-4-bromo-3,7-dimethyl-1H-indol-2-one
CID 130620057
(3S)-3-amino-3-methyl-5-(4-methylphenyl)-1H-indol-2-one
CID 125448878
6-(aminomethyl)-3,3,7-trimethyl-1H-indol-2-one
CID 165440929
3-amino-3-methyl-1H-pyrrolo[2,3-c]pyridin-2-one
CID 163274537
7-chloro-6-methylspiro[4,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclobutane]-2-one
CID 112741175
2-(5-benzyl-6'-chloro-7'-methyl-2',4,6-trioxospiro[1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3,3'-1H-indole]-1-yl)acetamide
CID 4885908

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-6-chloro-3,7-dimethyl-1H-indol-2-one?
The IUPAC name of (3S)-3-amino-6-chloro-3,7-dimethyl-1H-indol-2-one (CID 130682503) is (3S)-3-amino-6-chloro-3,7-dimethyl-1H-indol-2-one.
What is the SMILES notation for (3S)-3-amino-6-chloro-3,7-dimethyl-1H-indol-2-one?
The canonical SMILES for (3S)-3-amino-6-chloro-3,7-dimethyl-1H-indol-2-one is Cc1c(Cl)ccc2c1NC(=O)[C@@]2(C)N.
What is the InChIKey of (3S)-3-amino-6-chloro-3,7-dimethyl-1H-indol-2-one?
The InChIKey is RPBBLWGSIFUDGM-JTQLQIEISA-N. The full InChI is InChI=1S/C10H11ClN2O/c1-5-7(11)4-3-6-8(5)13-9(14)10(6,2)12/h3-4H,12H2,1-2H3,(H,13,14)/t10-/m0/s1.
What are the key properties of (3S)-3-amino-6-chloro-3,7-dimethyl-1H-indol-2-one?
(3S)-3-amino-6-chloro-3,7-dimethyl-1H-indol-2-one has a molecular weight of 210.66 g/mol, XLogP of 1.77, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-6-chloro-3,7-dimethyl-1H-indol-2-one is sourced from PubChem (CID 130682503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).