1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one

C14H17NO — CID 164582024

IUPAC1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one
SMILESCN1CC2(CCC(=O)CC2)c2ccccc21
InChIInChI=1S/C14H17NO/c1-15-10-14(8-6-11(16)7-9-14)12-4-2-3-5-13(12)15/h2-5H,6-10H2,1H3
InChIKeyKPWJDRTYKWHVHD-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.52
Rot. Bonds

About 1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one

1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one (PubChem CID 164582024) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one.

Molecular Properties

Compound Name1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one
PubChem CID164582024
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one
SMILESCN1CC2(CCC(=O)CC2)c2ccccc21
InChIInChI=1S/C14H17NO/c1-15-10-14(8-6-11(16)7-9-14)12-4-2-3-5-13(12)15/h2-5H,6-10H2,1H3
InChIKeyKPWJDRTYKWHVHD-UHFFFAOYSA-N
XLogP2.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

spiro[1,2-dihydroindene-3,4'-cyclohexane]-1'-one
CID 22357444
ethyl 1-methylspiro[2H-indole-3,4'-piperidine]-1'-carboxylate
CID 143140741
1'-methylspiro[1,2-dihydroindene-3,3'-2H-indole]
CID 11322294
1-methyl-1'-(oxolan-3-ylsulfonyl)spiro[2H-indole-3,4'-piperidine]
CID 166291332
1'-ethylspiro[cyclohexane-4,3'-indole]-1,2'-dione
CID 11615676
1-chlorospiro[2H-indole-3,1'-cyclopropane]
CID 175936694
2-methyl-5-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)sulfonyl-1,3-oxazole
CID 167798595
1-methyl-1'-[3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)propyl]spiro[2H-indole-3,4'-piperidine]
CID 22116573
(E)-4-methyl-1-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)hept-4-en-3-one
CID 142841852
2-(1-methylspiro[2H-indole-3,4'-piperidine]-1'-yl)-3H-pyrido[2,3-d]pyrimidin-4-one
CID 138595124
spiro[2H-indole-3,1'-cyclohexane]-1-carboxylic acid
CID 175544645
1-spiro[2H-indole-3,1'-cyclopentane]-1-ylethanone
CID 3039209

Frequently Asked Questions

What is the IUPAC name of 1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one?
The IUPAC name of 1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one (CID 164582024) is 1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one.
What is the SMILES notation for 1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one?
The canonical SMILES for 1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one is CN1CC2(CCC(=O)CC2)c2ccccc21.
What is the InChIKey of 1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one?
The InChIKey is KPWJDRTYKWHVHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-15-10-14(8-6-11(16)7-9-14)12-4-2-3-5-13(12)15/h2-5H,6-10H2,1H3.
What are the key properties of 1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one?
1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one has a molecular weight of 215.30 g/mol, XLogP of 2.52, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylspiro[2H-indole-3,4'-cyclohexane]-1'-one is sourced from PubChem (CID 164582024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).