(2S,3S)-2,5-dimethylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one

C18H17NO — CID 172635593

IUPAC(2S,3S)-2,5-dimethylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one
SMILESCc1ccc2c(c1)[C@@]1(Cc3ccccc3C1=O)[C@H](C)N2
InChIInChI=1S/C18H17NO/c1-11-7-8-16-15(9-11)18(12(2)19-16)10-13-5-3-4-6-14(13)17(18)20/h3-9,12,19H,10H2,1-2H3/t12-,18+/m0/s1
InChIKeyGEMNXGHECCTTNS-KPZWWZAWSA-N
MW263.34 g/mol
LogP3.49
Rot. Bonds

About (2S,3S)-2,5-dimethylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one

(2S,3S)-2,5-dimethylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one (PubChem CID 172635593) has the molecular formula C18H17NO and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S,3S)-2,5-dimethylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one.

Molecular Properties

Compound Name(2S,3S)-2,5-dimethylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one
PubChem CID172635593
Molecular FormulaC18H17NO
Molecular Weight263.34 g/mol
Exact Mass263.13
IUPAC Name(2S,3S)-2,5-dimethylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one
SMILESCc1ccc2c(c1)[C@@]1(Cc3ccccc3C1=O)[C@H](C)N2
InChIInChI=1S/C18H17NO/c1-11-7-8-16-15(9-11)18(12(2)19-16)10-13-5-3-4-6-14(13)17(18)20/h3-9,12,19H,10H2,1-2H3/t12-,18+/m0/s1
InChIKeyGEMNXGHECCTTNS-KPZWWZAWSA-N
XLogP3.49
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2,5-dimethylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one?
The IUPAC name of (2S,3S)-2,5-dimethylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one (CID 172635593) is (2S,3S)-2,5-dimethylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one.
What is the SMILES notation for (2S,3S)-2,5-dimethylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one?
The canonical SMILES for (2S,3S)-2,5-dimethylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one is Cc1ccc2c(c1)[C@@]1(Cc3ccccc3C1=O)[C@H](C)N2.
What is the InChIKey of (2S,3S)-2,5-dimethylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one?
The InChIKey is GEMNXGHECCTTNS-KPZWWZAWSA-N. The full InChI is InChI=1S/C18H17NO/c1-11-7-8-16-15(9-11)18(12(2)19-16)10-13-5-3-4-6-14(13)17(18)20/h3-9,12,19H,10H2,1-2H3/t12-,18+/m0/s1.
What are the key properties of (2S,3S)-2,5-dimethylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one?
(2S,3S)-2,5-dimethylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one has a molecular weight of 263.34 g/mol, XLogP of 3.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2,5-dimethylspiro[1,2-dihydroindole-3,2'-3H-indene]-1'-one is sourced from PubChem (CID 172635593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).