2-(1-methylindol-5-yl)cyclohexan-1-one

C15H17NO — CID 169324600

IUPAC2-(1-methylindol-5-yl)cyclohexan-1-one
SMILESCn1ccc2cc(C3CCCCC3=O)ccc21
InChIInChI=1S/C15H17NO/c1-16-9-8-12-10-11(6-7-14(12)16)13-4-2-3-5-15(13)17/h6-10,13H,2-5H2,1H3
InChIKeyZCROLGXQDTUVOP-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.40
Rot. Bonds1

About 2-(1-methylindol-5-yl)cyclohexan-1-one

2-(1-methylindol-5-yl)cyclohexan-1-one (PubChem CID 169324600) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 2-(1-methylindol-5-yl)cyclohexan-1-one.

Molecular Properties

Compound Name2-(1-methylindol-5-yl)cyclohexan-1-one
PubChem CID169324600
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name2-(1-methylindol-5-yl)cyclohexan-1-one
SMILESCn1ccc2cc(C3CCCCC3=O)ccc21
InChIInChI=1S/C15H17NO/c1-16-9-8-12-10-11(6-7-14(12)16)13-4-2-3-5-15(13)17/h6-10,13H,2-5H2,1H3
InChIKeyZCROLGXQDTUVOP-UHFFFAOYSA-N
XLogP3.40
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylindol-5-yl)cyclohexan-1-one?
The IUPAC name of 2-(1-methylindol-5-yl)cyclohexan-1-one (CID 169324600) is 2-(1-methylindol-5-yl)cyclohexan-1-one.
What is the SMILES notation for 2-(1-methylindol-5-yl)cyclohexan-1-one?
The canonical SMILES for 2-(1-methylindol-5-yl)cyclohexan-1-one is Cn1ccc2cc(C3CCCCC3=O)ccc21.
What is the InChIKey of 2-(1-methylindol-5-yl)cyclohexan-1-one?
The InChIKey is ZCROLGXQDTUVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-16-9-8-12-10-11(6-7-14(12)16)13-4-2-3-5-15(13)17/h6-10,13H,2-5H2,1H3.
What are the key properties of 2-(1-methylindol-5-yl)cyclohexan-1-one?
2-(1-methylindol-5-yl)cyclohexan-1-one has a molecular weight of 227.31 g/mol, XLogP of 3.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylindol-5-yl)cyclohexan-1-one is sourced from PubChem (CID 169324600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).