(3S)-6-chlorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one

C11H11ClN2O2 — CID 98041414

IUPAC(3S)-6-chlorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2N[C@]12CCOC2
InChIInChI=1S/C11H11ClN2O2/c12-7-1-2-8-9(5-7)14-11(10(15)13-8)3-4-16-6-11/h1-2,5,14H,3-4,6H2,(H,13,15)/t11-/m0/s1
InChIKeyPVXFMSZRBBDWKH-NSHDSACASA-N
MW238.67 g/mol
LogP1.86
Rot. Bonds

About (3S)-6-chlorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one

(3S)-6-chlorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one (PubChem CID 98041414) has the molecular formula C11H11ClN2O2 and a molecular weight of 238.67 g/mol. Its IUPAC name is (3S)-6-chlorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one.

Molecular Properties

Compound Name(3S)-6-chlorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one
PubChem CID98041414
Molecular FormulaC11H11ClN2O2
Molecular Weight238.67 g/mol
Exact Mass238.05
IUPAC Name(3S)-6-chlorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one
SMILESO=C1Nc2ccc(Cl)cc2N[C@]12CCOC2
InChIInChI=1S/C11H11ClN2O2/c12-7-1-2-8-9(5-7)14-11(10(15)13-8)3-4-16-6-11/h1-2,5,14H,3-4,6H2,(H,13,15)/t11-/m0/s1
InChIKeyPVXFMSZRBBDWKH-NSHDSACASA-N
XLogP1.86
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.67
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one
CID 79295412
7-chlorospiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-one
CID 79295398
6-chloro-7-fluorospiro[1,4-dihydroquinoxaline-3,4'-oxane]-2-one
CID 114089772
5-chlorospiro[1H-indole-3,4'-oxane]-2-one
CID 106701967
2-sulfanylidene-7-oxa-1,3-diazaspiro[4.4]nonan-4-one
CID 82997968
8-chloro-3,3-dimethyl-2,5-dihydro-1,5-benzoxazepin-4-one
CID 115098498
7-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclopropane]-4-one
CID 115099122
2-oxospiro[1,4-dihydroquinoxaline-3,1'-cyclobutane]-6-carboxylic acid
CID 82791107
7-chlorospiro[2,5-dihydro-1H-1,5-benzodiazepine-3,1'-cyclopropane]-4-one
CID 115452160
7-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one
CID 115097111
6-chlorospiro[4H-1,4-benzoxazine-2,1'-cyclopropane]-3-one
CID 115097029
8-chlorospiro[2,5-dihydro-1,5-benzoxazepine-3,1'-cyclohexane]-4-one
CID 115099852

Frequently Asked Questions

What is the IUPAC name of (3S)-6-chlorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one?
The IUPAC name of (3S)-6-chlorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one (CID 98041414) is (3S)-6-chlorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one.
What is the SMILES notation for (3S)-6-chlorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one?
The canonical SMILES for (3S)-6-chlorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one is O=C1Nc2ccc(Cl)cc2N[C@]12CCOC2.
What is the InChIKey of (3S)-6-chlorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one?
The InChIKey is PVXFMSZRBBDWKH-NSHDSACASA-N. The full InChI is InChI=1S/C11H11ClN2O2/c12-7-1-2-8-9(5-7)14-11(10(15)13-8)3-4-16-6-11/h1-2,5,14H,3-4,6H2,(H,13,15)/t11-/m0/s1.
What are the key properties of (3S)-6-chlorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one?
(3S)-6-chlorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one has a molecular weight of 238.67 g/mol, XLogP of 1.86, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-6-chlorospiro[1,4-dihydroquinoxaline-3,3'-oxolane]-2-one is sourced from PubChem (CID 98041414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).