(3S)-3-(4-chloro-2,3-dihydroindol-1-yl)oxolan-2-one

C12H12ClNO2 — CID 59465791

IUPAC(3S)-3-(4-chloro-2,3-dihydroindol-1-yl)oxolan-2-one
SMILESO=C1OCC[C@@H]1N1CCc2c(Cl)cccc21
InChIInChI=1S/C12H12ClNO2/c13-9-2-1-3-10-8(9)4-6-14(10)11-5-7-16-12(11)15/h1-3,11H,4-7H2/t11-/m0/s1
InChIKeyBFGVXCUBNJPEQY-NSHDSACASA-N
MW237.69 g/mol
LogP2.02
Rot. Bonds1

About (3S)-3-(4-chloro-2,3-dihydroindol-1-yl)oxolan-2-one

(3S)-3-(4-chloro-2,3-dihydroindol-1-yl)oxolan-2-one (PubChem CID 59465791) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is (3S)-3-(4-chloro-2,3-dihydroindol-1-yl)oxolan-2-one.

Molecular Properties

Compound Name(3S)-3-(4-chloro-2,3-dihydroindol-1-yl)oxolan-2-one
PubChem CID59465791
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name(3S)-3-(4-chloro-2,3-dihydroindol-1-yl)oxolan-2-one
SMILESO=C1OCC[C@@H]1N1CCc2c(Cl)cccc21
InChIInChI=1S/C12H12ClNO2/c13-9-2-1-3-10-8(9)4-6-14(10)11-5-7-16-12(11)15/h1-3,11H,4-7H2/t11-/m0/s1
InChIKeyBFGVXCUBNJPEQY-NSHDSACASA-N
XLogP2.02
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(4-chloro-2,3-dihydroindol-1-yl)oxolan-2-one?
The IUPAC name of (3S)-3-(4-chloro-2,3-dihydroindol-1-yl)oxolan-2-one (CID 59465791) is (3S)-3-(4-chloro-2,3-dihydroindol-1-yl)oxolan-2-one.
What is the SMILES notation for (3S)-3-(4-chloro-2,3-dihydroindol-1-yl)oxolan-2-one?
The canonical SMILES for (3S)-3-(4-chloro-2,3-dihydroindol-1-yl)oxolan-2-one is O=C1OCC[C@@H]1N1CCc2c(Cl)cccc21.
What is the InChIKey of (3S)-3-(4-chloro-2,3-dihydroindol-1-yl)oxolan-2-one?
The InChIKey is BFGVXCUBNJPEQY-NSHDSACASA-N. The full InChI is InChI=1S/C12H12ClNO2/c13-9-2-1-3-10-8(9)4-6-14(10)11-5-7-16-12(11)15/h1-3,11H,4-7H2/t11-/m0/s1.
What are the key properties of (3S)-3-(4-chloro-2,3-dihydroindol-1-yl)oxolan-2-one?
(3S)-3-(4-chloro-2,3-dihydroindol-1-yl)oxolan-2-one has a molecular weight of 237.69 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(4-chloro-2,3-dihydroindol-1-yl)oxolan-2-one is sourced from PubChem (CID 59465791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).