(3R)-1-acetyl-2',2'-dimethylspiro[2H-indole-3,4'-cyclohexane]-1'-one

C17H21NO2 — CID 175904123

IUPAC(3R)-1-acetyl-2',2'-dimethylspiro[2H-indole-3,4'-cyclohexane]-1'-one
SMILESCC(=O)N1C[C@@]2(CCC(=O)C(C)(C)C2)c2ccccc21
InChIInChI=1S/C17H21NO2/c1-12(19)18-11-17(13-6-4-5-7-14(13)18)9-8-15(20)16(2,3)10-17/h4-7H,8-11H2,1-3H3/t17-/m0/s1
InChIKeyYBKKUIVPWSDCBD-KRWDZBQOSA-N
MW271.36 g/mol
LogP3.07
Rot. Bonds

About (3R)-1-acetyl-2',2'-dimethylspiro[2H-indole-3,4'-cyclohexane]-1'-one

(3R)-1-acetyl-2',2'-dimethylspiro[2H-indole-3,4'-cyclohexane]-1'-one (PubChem CID 175904123) has the molecular formula C17H21NO2 and a molecular weight of 271.36 g/mol. Its IUPAC name is (3R)-1-acetyl-2',2'-dimethylspiro[2H-indole-3,4'-cyclohexane]-1'-one.

Molecular Properties

Compound Name(3R)-1-acetyl-2',2'-dimethylspiro[2H-indole-3,4'-cyclohexane]-1'-one
PubChem CID175904123
Molecular FormulaC17H21NO2
Molecular Weight271.36 g/mol
Exact Mass271.16
IUPAC Name(3R)-1-acetyl-2',2'-dimethylspiro[2H-indole-3,4'-cyclohexane]-1'-one
SMILESCC(=O)N1C[C@@]2(CCC(=O)C(C)(C)C2)c2ccccc21
InChIInChI=1S/C17H21NO2/c1-12(19)18-11-17(13-6-4-5-7-14(13)18)9-8-15(20)16(2,3)10-17/h4-7H,8-11H2,1-3H3/t17-/m0/s1
InChIKeyYBKKUIVPWSDCBD-KRWDZBQOSA-N
XLogP3.07
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209
spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
CID 175544645
1,2',2'-trimethylspiro[4H-quinoline-3,4'-cyclohexane]-1',2-dione
CID 175913849
2,2-dimethyl-1-spiro[2H-indole-3,4'-piperidine]-1-ylpropan-1-one
CID 57041656
1'-fluorospiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
CID 175853428
1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one
CID 164582024
2-methyl-3-oxo-3-spiro[2H-indole-3,1'-cyclopropane]-1-ylpropanoic acid
CID 122065639
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylbutan-1-one
CID 110750758
1'-tert-butylspiro[2H-indole-3,4'-piperidine]-1-carboxylic acid
CID 67540864
2-(dimethylamino)-1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 166229712
phenyl(spiro[2H-indole-3,1'-cyclobutane]-1-yl)methanone
CID 166223400
1-(4-fluorospiro[2H-indole-3,1'-cyclobutane]-1-yl)ethanone
CID 127270027

Frequently Asked Questions

What is the IUPAC name of (3R)-1-acetyl-2',2'-dimethylspiro[2H-indole-3,4'-cyclohexane]-1'-one?
The IUPAC name of (3R)-1-acetyl-2',2'-dimethylspiro[2H-indole-3,4'-cyclohexane]-1'-one (CID 175904123) is (3R)-1-acetyl-2',2'-dimethylspiro[2H-indole-3,4'-cyclohexane]-1'-one.
What is the SMILES notation for (3R)-1-acetyl-2',2'-dimethylspiro[2H-indole-3,4'-cyclohexane]-1'-one?
The canonical SMILES for (3R)-1-acetyl-2',2'-dimethylspiro[2H-indole-3,4'-cyclohexane]-1'-one is CC(=O)N1C[C@@]2(CCC(=O)C(C)(C)C2)c2ccccc21.
What is the InChIKey of (3R)-1-acetyl-2',2'-dimethylspiro[2H-indole-3,4'-cyclohexane]-1'-one?
The InChIKey is YBKKUIVPWSDCBD-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21NO2/c1-12(19)18-11-17(13-6-4-5-7-14(13)18)9-8-15(20)16(2,3)10-17/h4-7H,8-11H2,1-3H3/t17-/m0/s1.
What are the key properties of (3R)-1-acetyl-2',2'-dimethylspiro[2H-indole-3,4'-cyclohexane]-1'-one?
(3R)-1-acetyl-2',2'-dimethylspiro[2H-indole-3,4'-cyclohexane]-1'-one has a molecular weight of 271.36 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-acetyl-2',2'-dimethylspiro[2H-indole-3,4'-cyclohexane]-1'-one is sourced from PubChem (CID 175904123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).