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

C14H14BrNO — CID 164582704

IUPAC5'-bromo-2'-methylspiro[cyclohexane-4,3'-indole]-1-one
SMILESCC1=Nc2ccc(Br)cc2C12CCC(=O)CC2
InChIInChI=1S/C14H14BrNO/c1-9-14(6-4-11(17)5-7-14)12-8-10(15)2-3-13(12)16-9/h2-3,8H,4-7H2,1H3
InChIKeyVXTIBZFOGKLXPZ-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.94
Rot. Bonds

About 5'-bromo-2'-methylspiro[cyclohexane-4,3'-indole]-1-one

5'-bromo-2'-methylspiro[cyclohexane-4,3'-indole]-1-one (PubChem CID 164582704) has the molecular formula C14H14BrNO and a molecular weight of 292.18 g/mol. Its IUPAC name is 5'-bromo-2'-methylspiro[cyclohexane-4,3'-indole]-1-one.

Molecular Properties

Compound Name5'-bromo-2'-methylspiro[cyclohexane-4,3'-indole]-1-one
PubChem CID164582704
Molecular FormulaC14H14BrNO
Molecular Weight292.18 g/mol
Exact Mass291.03
IUPAC Name5'-bromo-2'-methylspiro[cyclohexane-4,3'-indole]-1-one
SMILESCC1=Nc2ccc(Br)cc2C12CCC(=O)CC2
InChIInChI=1S/C14H14BrNO/c1-9-14(6-4-11(17)5-7-14)12-8-10(15)2-3-13(12)16-9/h2-3,8H,4-7H2,1H3
InChIKeyVXTIBZFOGKLXPZ-UHFFFAOYSA-N
XLogP3.94
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Bromo-2,3,3-trimethyl-3H-indole
CID 11230141
6-Bromo-4a-methyl-2,3,4,4a-tetrahydro-1h-carbazole
CID 15850054
1-(5-Bromo-7-fluoro-3,3-dimethylindol-2-yl)ethanone
CID 172224274
2-(3-Bromophenyl)indol-3-one
CID 2336615
2-(4-Bromophenyl)imino-5,5-dimethylcyclohexan-1-one
CID 91130922
5-(4-Bromophenyl)imino-3,3-dimethylcyclohexan-1-one
CID 91492565
6-Bromoketocarbazole
CID 129780579
1-(4a-Methyl-1,2,3,4-tetrahydrocarbazol-4-yl)propan-2-one
CID 134964581
6-bromo-4a-isopropyl-2-methyl-2,3,4,4a-tetrahydro-1H-carbazole
CID 139200457
5-Bromo-2-p-tolyl-3h-indol-3-one
CID 163409623
6-bromo-2-(trifluoromethyl)-4H-quinolin-3-one
CID 159297252
6-bromo-5-fluoro-2-propan-2-yl-4H-quinolin-3-one
CID 163990745

Frequently Asked Questions

What is the IUPAC name of 5'-bromo-2'-methylspiro[cyclohexane-4,3'-indole]-1-one?
The IUPAC name of 5'-bromo-2'-methylspiro[cyclohexane-4,3'-indole]-1-one (CID 164582704) is 5'-bromo-2'-methylspiro[cyclohexane-4,3'-indole]-1-one.
What is the SMILES notation for 5'-bromo-2'-methylspiro[cyclohexane-4,3'-indole]-1-one?
The canonical SMILES for 5'-bromo-2'-methylspiro[cyclohexane-4,3'-indole]-1-one is CC1=Nc2ccc(Br)cc2C12CCC(=O)CC2.
What is the InChIKey of 5'-bromo-2'-methylspiro[cyclohexane-4,3'-indole]-1-one?
The InChIKey is VXTIBZFOGKLXPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrNO/c1-9-14(6-4-11(17)5-7-14)12-8-10(15)2-3-13(12)16-9/h2-3,8H,4-7H2,1H3.
What are the key properties of 5'-bromo-2'-methylspiro[cyclohexane-4,3'-indole]-1-one?
5'-bromo-2'-methylspiro[cyclohexane-4,3'-indole]-1-one has a molecular weight of 292.18 g/mol, XLogP of 3.94, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5'-bromo-2'-methylspiro[cyclohexane-4,3'-indole]-1-one is sourced from PubChem (CID 164582704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).