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

C15H23NO — CID 71930068

IUPACcyclopent-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
SMILESCC1CC2CCCCC2N1C(=O)C1CC=CC1
InChIInChI=1S/C15H23NO/c1-11-10-13-8-4-5-9-14(13)16(11)15(17)12-6-2-3-7-12/h2-3,11-14H,4-10H2,1H3
InChIKeyNDRVJLYALVCJFN-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.13
Rot. Bonds1

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

cyclopent-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone (PubChem CID 71930068) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is cyclopent-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone.

Molecular Properties

Compound Namecyclopent-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
PubChem CID71930068
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Namecyclopent-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone
SMILESCC1CC2CCCCC2N1C(=O)C1CC=CC1
InChIInChI=1S/C15H23NO/c1-11-10-13-8-4-5-9-14(13)16(11)15(17)12-6-2-3-7-12/h2-3,11-14H,4-10H2,1H3
InChIKeyNDRVJLYALVCJFN-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.13
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 cyclopent-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone?
The IUPAC name of cyclopent-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone (CID 71930068) is cyclopent-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone.
What is the SMILES notation for cyclopent-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone?
The canonical SMILES for cyclopent-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone is CC1CC2CCCCC2N1C(=O)C1CC=CC1.
What is the InChIKey of cyclopent-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone?
The InChIKey is NDRVJLYALVCJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-11-10-13-8-4-5-9-14(13)16(11)15(17)12-6-2-3-7-12/h2-3,11-14H,4-10H2,1H3.
What are the key properties of cyclopent-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone?
cyclopent-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone has a molecular weight of 233.35 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-3-en-1-yl-(2-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)methanone is sourced from PubChem (CID 71930068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).