(6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione

C15H16ClNO3 — CID 135305780

IUPAC(6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione
SMILESO=C1C[C@@H](CCCCl)OC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C15H16ClNO3/c16-7-3-4-11-8-10(18)9-15(20-11)12-5-1-2-6-13(12)17-14(15)19/h1-2,5-6,11H,3-4,7-9H2,(H,17,19)/t11-,15?/m1/s1
InChIKeyOPCYZAJVONRNOD-ZRKZCGFPSA-N
MW293.75 g/mol
LogP2.60
Rot. Bonds3

About (6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione

(6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione (PubChem CID 135305780) has the molecular formula C15H16ClNO3 and a molecular weight of 293.75 g/mol. Its IUPAC name is (6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione.

Molecular Properties

Compound Name(6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione
PubChem CID135305780
Molecular FormulaC15H16ClNO3
Molecular Weight293.75 g/mol
Exact Mass293.08
IUPAC Name(6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione
SMILESO=C1C[C@@H](CCCCl)OC2(C1)C(=O)Nc1ccccc12
InChIInChI=1S/C15H16ClNO3/c16-7-3-4-11-8-10(18)9-15(20-11)12-5-1-2-6-13(12)17-14(15)19/h1-2,5-6,11H,3-4,7-9H2,(H,17,19)/t11-,15?/m1/s1
InChIKeyOPCYZAJVONRNOD-ZRKZCGFPSA-N
XLogP2.60
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.75
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione with MolForge

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Related Compounds

6'-but-3-ynylspiro[1H-indole-3,2'-oxane]-2,4'-dione
CID 123642276
(6'S)-6'-[2-(1,3-dioxoisoindol-2-yl)ethyl]spiro[1H-indole-3,2'-oxane]-2,4'-dione
CID 135305783
4'-hydroxy-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
CID 123548047
(1'R,3R)-1'-methylspiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one
CID 139218215
(4'R,6'S)-4'-hydroxy-4'-prop-2-enyl-6'-propylspiro[1H-indole-3,2'-oxane]-2-one
CID 118340195
(2S,6S)-2,3-dimethylspiro[1,3-oxazinane-6,3'-1H-indole]-2'-one
CID 162959161
4-butylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
CID 91307632
(1'S,3R)-1'-(phenylmethoxymethyl)spiro[1H-indole-3,3'-4,5,6,7-tetrahydro-1H-cyclopenta[c]pyran]-2-one
CID 139218217
(3S)-4'-(4-chlorophenyl)spiro[1H-indole-3,2'-3H-pyran]-2,6'-dione
CID 122221121
spiro[1H-indole-3,2'-3,4-dihydrochromene]-2-one
CID 166063555
3,3-dichloro-1H-indol-2-one
CID 719018
4-(phenoxymethyl)spiro[1,3-dioxolane-2,3'-1H-indole]-2'-one
CID 17368605

Frequently Asked Questions

What is the IUPAC name of (6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione?
The IUPAC name of (6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione (CID 135305780) is (6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione.
What is the SMILES notation for (6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione?
The canonical SMILES for (6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione is O=C1C[C@@H](CCCCl)OC2(C1)C(=O)Nc1ccccc12.
What is the InChIKey of (6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione?
The InChIKey is OPCYZAJVONRNOD-ZRKZCGFPSA-N. The full InChI is InChI=1S/C15H16ClNO3/c16-7-3-4-11-8-10(18)9-15(20-11)12-5-1-2-6-13(12)17-14(15)19/h1-2,5-6,11H,3-4,7-9H2,(H,17,19)/t11-,15?/m1/s1.
What are the key properties of (6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione?
(6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione has a molecular weight of 293.75 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6'R)-6'-(3-chloropropyl)spiro[1H-indole-3,2'-oxane]-2,4'-dione is sourced from PubChem (CID 135305780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).