cyclohex-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone

C16H25NO — CID 71930686

IUPACcyclohex-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
SMILESCC1CC2CCCCC2N1C(=O)C1CC=CCC1
InChIInChI=1S/C16H25NO/c1-12-11-14-9-5-6-10-15(14)17(12)16(18)13-7-3-2-4-8-13/h2-3,12-15H,4-11H2,1H3
InChIKeyITMMJZSWUWICQF-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.52
Rot. Bonds1

About cyclohex-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone

cyclohex-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone (PubChem CID 71930686) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is cyclohex-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone.

Molecular Properties

Compound Namecyclohex-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
PubChem CID71930686
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Namecyclohex-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
SMILESCC1CC2CCCCC2N1C(=O)C1CC=CCC1
InChIInChI=1S/C16H25NO/c1-12-11-14-9-5-6-10-15(14)17(12)16(18)13-7-3-2-4-8-13/h2-3,12-15H,4-11H2,1H3
InChIKeyITMMJZSWUWICQF-UHFFFAOYSA-N
XLogP3.52
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone?
The IUPAC name of cyclohex-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone (CID 71930686) is cyclohex-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone.
What is the SMILES notation for cyclohex-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone?
The canonical SMILES for cyclohex-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone is CC1CC2CCCCC2N1C(=O)C1CC=CCC1.
What is the InChIKey of cyclohex-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone?
The InChIKey is ITMMJZSWUWICQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-12-11-14-9-5-6-10-15(14)17(12)16(18)13-7-3-2-4-8-13/h2-3,12-15H,4-11H2,1H3.
What are the key properties of cyclohex-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone?
cyclohex-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone has a molecular weight of 247.38 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone is sourced from PubChem (CID 71930686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).