(3S)-1'-methylspiro[4,6,7,8-tetrahydro-2H-chromene-3,3'-indole]-2',5-dione

C17H17NO3 — CID 102110136

IUPAC(3S)-1'-methylspiro[4,6,7,8-tetrahydro-2H-chromene-3,3'-indole]-2',5-dione
SMILESCN1C(=O)[C@]2(COC3=C(C2)C(=O)CCC3)c2ccccc21
InChIInChI=1S/C17H17NO3/c1-18-13-6-3-2-5-12(13)17(16(18)20)9-11-14(19)7-4-8-15(11)21-10-17/h2-3,5-6H,4,7-10H2,1H3/t17-/m1/s1
InChIKeyAEQZSNFEWJMOBN-QGZVFWFLSA-N
MW283.33 g/mol
LogP2.33
Rot. Bonds

About (3S)-1'-methylspiro[4,6,7,8-tetrahydro-2H-chromene-3,3'-indole]-2',5-dione

(3S)-1'-methylspiro[4,6,7,8-tetrahydro-2H-chromene-3,3'-indole]-2',5-dione (PubChem CID 102110136) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is (3S)-1'-methylspiro[4,6,7,8-tetrahydro-2H-chromene-3,3'-indole]-2',5-dione.

Molecular Properties

Compound Name(3S)-1'-methylspiro[4,6,7,8-tetrahydro-2H-chromene-3,3'-indole]-2',5-dione
PubChem CID102110136
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name(3S)-1'-methylspiro[4,6,7,8-tetrahydro-2H-chromene-3,3'-indole]-2',5-dione
SMILESCN1C(=O)[C@]2(COC3=C(C2)C(=O)CCC3)c2ccccc21
InChIInChI=1S/C17H17NO3/c1-18-13-6-3-2-5-12(13)17(16(18)20)9-11-14(19)7-4-8-15(11)21-10-17/h2-3,5-6H,4,7-10H2,1H3/t17-/m1/s1
InChIKeyAEQZSNFEWJMOBN-QGZVFWFLSA-N
XLogP2.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3S)-1'-methylspiro[4,6,7,8-tetrahydro-2H-chromene-3,3'-indole]-2',5-dione with MolForge

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Related Compounds

(3S)-5-acetyl-1',6-dimethylspiro[2,4-dihydropyran-3,3'-indole]-2'-one
CID 102110139
1'-methylspiro[cyclopropane-1,3'-indole]-2'-one
CID 14317864
1'-methylspiro[2H-1-benzofuran-3,3'-4H-quinoline]-2'-one
CID 102292524
1,3'-dimethylspiro[indole-3,5'-oxane]-2,2'-dione
CID 132918334
(4R)-1,1'-dimethylspiro[3H-quinoline-4,3'-pyrrolidine]-2,2',5'-trione
CID 162402033
CID 59909654
CID 59909654
1'-methylspiro[cycloheptane-2,3'-indole]-1,2'-dione
CID 71513681
CID 164582213
CID 164582213
(3S)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 95187712
1-methyl-1'-(pyrrolidine-1-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 97452604
1-methyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxamide
CID 57097431
(4R)-2-amino-1'-methyl-2',5-dioxospiro[7,8-dihydro-6H-chromene-4,3'-indole]-3-carbonitrile
CID 704946

Frequently Asked Questions

What is the IUPAC name of (3S)-1'-methylspiro[4,6,7,8-tetrahydro-2H-chromene-3,3'-indole]-2',5-dione?
The IUPAC name of (3S)-1'-methylspiro[4,6,7,8-tetrahydro-2H-chromene-3,3'-indole]-2',5-dione (CID 102110136) is (3S)-1'-methylspiro[4,6,7,8-tetrahydro-2H-chromene-3,3'-indole]-2',5-dione.
What is the SMILES notation for (3S)-1'-methylspiro[4,6,7,8-tetrahydro-2H-chromene-3,3'-indole]-2',5-dione?
The canonical SMILES for (3S)-1'-methylspiro[4,6,7,8-tetrahydro-2H-chromene-3,3'-indole]-2',5-dione is CN1C(=O)[C@]2(COC3=C(C2)C(=O)CCC3)c2ccccc21.
What is the InChIKey of (3S)-1'-methylspiro[4,6,7,8-tetrahydro-2H-chromene-3,3'-indole]-2',5-dione?
The InChIKey is AEQZSNFEWJMOBN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H17NO3/c1-18-13-6-3-2-5-12(13)17(16(18)20)9-11-14(19)7-4-8-15(11)21-10-17/h2-3,5-6H,4,7-10H2,1H3/t17-/m1/s1.
What are the key properties of (3S)-1'-methylspiro[4,6,7,8-tetrahydro-2H-chromene-3,3'-indole]-2',5-dione?
(3S)-1'-methylspiro[4,6,7,8-tetrahydro-2H-chromene-3,3'-indole]-2',5-dione has a molecular weight of 283.33 g/mol, XLogP of 2.33, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1'-methylspiro[4,6,7,8-tetrahydro-2H-chromene-3,3'-indole]-2',5-dione is sourced from PubChem (CID 102110136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).