(3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one

C11H9Cl2NO — CID 175639660

IUPAC(3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one
SMILESCc1ccc2c(c1)[C@@]1(CC1(Cl)Cl)C(=O)N2
InChIInChI=1S/C11H9Cl2NO/c1-6-2-3-8-7(4-6)10(9(15)14-8)5-11(10,12)13/h2-4H,5H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyZLVLBGNQLFDEAB-JTQLQIEISA-N
MW242.10 g/mol
LogP2.76
Rot. Bonds

About (3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one

(3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one (PubChem CID 175639660) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol. Its IUPAC name is (3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one.

Molecular Properties

Compound Name(3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one
PubChem CID175639660
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC Name(3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one
SMILESCc1ccc2c(c1)[C@@]1(CC1(Cl)Cl)C(=O)N2
InChIInChI=1S/C11H9Cl2NO/c1-6-2-3-8-7(4-6)10(9(15)14-8)5-11(10,12)13/h2-4H,5H2,1H3,(H,14,15)/t10-/m0/s1
InChIKeyZLVLBGNQLFDEAB-JTQLQIEISA-N
XLogP2.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-methylspiro[1H-indole-3,4'-cyclohexane]-1',2-dione
CID 156760180
(2'R,3R)-2'-(hydroxymethyl)-5-methylspiro[1H-indole-3,1'-cyclopropane]-2-one
CID 52915747
4',4'-difluoro-5-methylspiro[1H-indole-3,1'-cyclohexane]-2-one
CID 106702132
5,5,5'-trimethylspiro[1,3-dioxane-2,3'-1H-indole]-2'-one
CID 91448943
5-methyl-2-oxospiro[1H-indole-3,3'-cyclopropane]-1',2'-dicarbonitrile
CID 163838439
1',5-dimethylspiro[1H-indole-3,3'-piperidine]-2-one
CID 10220227
5-methylspiro[1H-indole-3,2'-3H-1,3-benzothiazole]-2-one
CID 45275938
(3S)-3-hydroxy-5-methyl-3-(1H-pyrrol-2-yl)-1H-indol-2-one
CID 134949748
(2S)-5'-methyl-3-(4-methylphenyl)spiro[1,3-thiazolidine-2,3'-1H-indole]-2',4-dione
CID 7830115
3,3,5,7-tetramethyl-1,4-dihydro-1,5-benzodiazepin-2-one
CID 115098560
5-fluoro-3,3-bis(2-hydroxy-4-methylphenyl)-1H-indol-2-one
CID 14616665
tert-butyl (3S)-3,5-dimethyl-2-oxo-1H-indole-3-carboxylate
CID 177465055

Frequently Asked Questions

What is the IUPAC name of (3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one?
The IUPAC name of (3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one (CID 175639660) is (3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one.
What is the SMILES notation for (3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one?
The canonical SMILES for (3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one is Cc1ccc2c(c1)[C@@]1(CC1(Cl)Cl)C(=O)N2.
What is the InChIKey of (3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one?
The InChIKey is ZLVLBGNQLFDEAB-JTQLQIEISA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-6-2-3-8-7(4-6)10(9(15)14-8)5-11(10,12)13/h2-4H,5H2,1H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one?
(3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one has a molecular weight of 242.10 g/mol, XLogP of 2.76, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1',1'-dichloro-5-methylspiro[1H-indole-3,2'-cyclopropane]-2-one is sourced from PubChem (CID 175639660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).