3-(1-methylindol-3-yl)cyclohex-2-en-1-one

C15H15NO — CID 83537181

IUPAC3-(1-methylindol-3-yl)cyclohex-2-en-1-one
SMILESCn1cc(C2=CC(=O)CCC2)c2ccccc21
InChIInChI=1S/C15H15NO/c1-16-10-14(11-5-4-6-12(17)9-11)13-7-2-3-8-15(13)16/h2-3,7-10H,4-6H2,1H3
InChIKeyHSIKIZPNBCIJOL-UHFFFAOYSA-N
MW225.29 g/mol
LogP3.31
Rot. Bonds1

About 3-(1-methylindol-3-yl)cyclohex-2-en-1-one

3-(1-methylindol-3-yl)cyclohex-2-en-1-one (PubChem CID 83537181) has the molecular formula C15H15NO and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-(1-methylindol-3-yl)cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(1-methylindol-3-yl)cyclohex-2-en-1-one
PubChem CID83537181
Molecular FormulaC15H15NO
Molecular Weight225.29 g/mol
Exact Mass225.12
IUPAC Name3-(1-methylindol-3-yl)cyclohex-2-en-1-one
SMILESCn1cc(C2=CC(=O)CCC2)c2ccccc21
InChIInChI=1S/C15H15NO/c1-16-10-14(11-5-4-6-12(17)9-11)13-7-2-3-8-15(13)16/h2-3,7-10H,4-6H2,1H3
InChIKeyHSIKIZPNBCIJOL-UHFFFAOYSA-N
XLogP3.31
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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3,4-bis(1-methylindol-3-yl)furan-2,5-dione
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CID 141098979
2-(1-methylindol-3-yl)phenol
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CID 58931542
6-(1-methylindol-3-yl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 146673831
2-(1-methylindol-3-yl)aniline
CID 138983733
1-methylindole-3-carbothioic S-acid
CID 116918837
1-(1-methylindol-3-yl)pyrrolidin-2-one
CID 166081432
4-(1-methylindol-3-yl)cyclohex-3-ene-1-carbohydrazide
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CID 23279589

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylindol-3-yl)cyclohex-2-en-1-one?
The IUPAC name of 3-(1-methylindol-3-yl)cyclohex-2-en-1-one (CID 83537181) is 3-(1-methylindol-3-yl)cyclohex-2-en-1-one.
What is the SMILES notation for 3-(1-methylindol-3-yl)cyclohex-2-en-1-one?
The canonical SMILES for 3-(1-methylindol-3-yl)cyclohex-2-en-1-one is Cn1cc(C2=CC(=O)CCC2)c2ccccc21.
What is the InChIKey of 3-(1-methylindol-3-yl)cyclohex-2-en-1-one?
The InChIKey is HSIKIZPNBCIJOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO/c1-16-10-14(11-5-4-6-12(17)9-11)13-7-2-3-8-15(13)16/h2-3,7-10H,4-6H2,1H3.
What are the key properties of 3-(1-methylindol-3-yl)cyclohex-2-en-1-one?
3-(1-methylindol-3-yl)cyclohex-2-en-1-one has a molecular weight of 225.29 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylindol-3-yl)cyclohex-2-en-1-one is sourced from PubChem (CID 83537181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).