(3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione

C12H9ClN2O2 — CID 124677172

IUPAC(3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](c2c[nH]c3cc(Cl)ccc23)C(=O)N1
InChIInChI=1S/C12H9ClN2O2/c13-6-1-2-7-9(5-14-10(7)3-6)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)/t8-/m1/s1
InChIKeyAHVPBZIGWCANAK-MRVPVSSYSA-N
MW248.67 g/mol
LogP1.95
Rot. Bonds1

About (3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione

(3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione (PubChem CID 124677172) has the molecular formula C12H9ClN2O2 and a molecular weight of 248.67 g/mol. Its IUPAC name is (3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione
PubChem CID124677172
Molecular FormulaC12H9ClN2O2
Molecular Weight248.67 g/mol
Exact Mass248.04
IUPAC Name(3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](c2c[nH]c3cc(Cl)ccc23)C(=O)N1
InChIInChI=1S/C12H9ClN2O2/c13-6-1-2-7-9(5-14-10(7)3-6)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)/t8-/m1/s1
InChIKeyAHVPBZIGWCANAK-MRVPVSSYSA-N
XLogP1.95
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 124677171
3-(2,5-dioxopyrrolidin-3-yl)-1H-indole-6-carbonitrile
CID 118512091
3-(6-methoxy-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 86240712
3-(5,6-difluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 86240717
3-(6-bromo-5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 118511986
3-(7-chloronaphthalen-1-yl)pyrrolidine-2,5-dione
CID 118511993
3-[5-(hydroxymethyl)-1H-indol-3-yl]pyrrolidine-2,5-dione
CID 118520343
3-(5-isocyano-1H-indol-3-yl)pyrrolidine-2,5-dione
CID 123229041
trans-(2S,5R)-2-(5-chloro-1H-indol-3-yl)-5-methylcyclohexan-1-one
CID 7353942
cis-(2S,5S)-2-(5-chloro-1H-indol-3-yl)-5-methylcyclohexan-1-one
CID 7353943
(5R)-3-(4-chlorophenyl)-5-(1H-indol-3-yl)-4,5-dihydro-1H-pyridazin-6-one
CID 974052
[(1R,3R)-3-(6-chloro-1H-indol-3-yl)-2,2-dimethylcyclopropyl]methanamine
CID 178197054

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione (CID 124677172) is (3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione is O=C1C[C@H](c2c[nH]c3cc(Cl)ccc23)C(=O)N1.
What is the InChIKey of (3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione?
The InChIKey is AHVPBZIGWCANAK-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H9ClN2O2/c13-6-1-2-7-9(5-14-10(7)3-6)8-4-11(16)15-12(8)17/h1-3,5,8,14H,4H2,(H,15,16,17)/t8-/m1/s1.
What are the key properties of (3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione?
(3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione has a molecular weight of 248.67 g/mol, XLogP of 1.95, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(6-chloro-1H-indol-3-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 124677172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).