(3S)-5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one

C12H12Br2N2O3 — CID 7234389

IUPAC(3S)-5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one
SMILESO=C1Nc2c(Br)cc(Br)cc2[C@@]1(O)N1CCOCC1
InChIInChI=1S/C12H12Br2N2O3/c13-7-5-8-10(9(14)6-7)15-11(17)12(8,18)16-1-3-19-4-2-16/h5-6,18H,1-4H2,(H,15,17)/t12-/m0/s1
InChIKeyUWBBKSKQWRLGDY-LBPRGKRZSA-N
MW392.05 g/mol
LogP1.64
Rot. Bonds1

About (3S)-5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one

(3S)-5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one (PubChem CID 7234389) has the molecular formula C12H12Br2N2O3 and a molecular weight of 392.05 g/mol. Its IUPAC name is (3S)-5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one.

Molecular Properties

Compound Name(3S)-5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one
PubChem CID7234389
Molecular FormulaC12H12Br2N2O3
Molecular Weight392.05 g/mol
Exact Mass389.92
IUPAC Name(3S)-5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one
SMILESO=C1Nc2c(Br)cc(Br)cc2[C@@]1(O)N1CCOCC1
InChIInChI=1S/C12H12Br2N2O3/c13-7-5-8-10(9(14)6-7)15-11(17)12(8,18)16-1-3-19-4-2-16/h5-6,18H,1-4H2,(H,15,17)/t12-/m0/s1
InChIKeyUWBBKSKQWRLGDY-LBPRGKRZSA-N
XLogP1.64
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.05
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-5,7-dibromo-3-hydroxy-3-(4-methylpiperidin-1-yl)-1H-indol-2-one
CID 7708052
(3S,3'S,4'R)-5,7-dibromo-1'-methyl-3'-nitro-4'-(trifluoromethyl)spiro[1H-indole-3,2'-pyrrolidine]-2-one
CID 132550169
7-bromo-5-fluorospiro[1H-indole-3,1'-cyclopropane]-2-one
CID 103863094
5,7-dibromo-3,3-difluoro-1,2-dihydroindole
CID 10979905
[2,5-dibromo-4-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
CID 30482005
2,6-dibromo-4-hydroxy-4-(2-morpholin-4-ylethyl)cyclohexa-2,5-dien-1-one
CID 177314278
2,6-dibromo-4-hydroxy-4-(morpholin-4-ylmethyl)cyclohexa-2,5-dien-1-one
CID 177314291
(3S,4R)-6-bromo-3-morpholin-4-yl-4-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 1162856
(3-amino-5-bromophenyl)-morpholin-4-ylmethanone
CID 75537166
N-(3,5-dibromobenzoyl)morpholine-4-carboxamide
CID 2741464
3-bromo-5-morpholin-4-ylsulfonyl-1H-pyridin-4-one
CID 102538904
1-morpholin-4-yl-3-(2,4,6-tribromophenoxy)propan-2-ol
CID 660609

Frequently Asked Questions

What is the IUPAC name of (3S)-5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one?
The IUPAC name of (3S)-5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one (CID 7234389) is (3S)-5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one.
What is the SMILES notation for (3S)-5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one?
The canonical SMILES for (3S)-5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one is O=C1Nc2c(Br)cc(Br)cc2[C@@]1(O)N1CCOCC1.
What is the InChIKey of (3S)-5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one?
The InChIKey is UWBBKSKQWRLGDY-LBPRGKRZSA-N. The full InChI is InChI=1S/C12H12Br2N2O3/c13-7-5-8-10(9(14)6-7)15-11(17)12(8,18)16-1-3-19-4-2-16/h5-6,18H,1-4H2,(H,15,17)/t12-/m0/s1.
What are the key properties of (3S)-5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one?
(3S)-5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one has a molecular weight of 392.05 g/mol, XLogP of 1.64, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5,7-dibromo-3-hydroxy-3-morpholin-4-yl-1H-indol-2-one is sourced from PubChem (CID 7234389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).