2-(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1-pyrrolidin-1-ylethanone

C22H25NO — CID 70481101

IUPAC2-(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1-pyrrolidin-1-ylethanone
SMILESCc1cccc2c1CCc1ccccc1C2CC(=O)N1CCCC1
InChIInChI=1S/C22H25NO/c1-16-7-6-10-20-18(16)12-11-17-8-2-3-9-19(17)21(20)15-22(24)23-13-4-5-14-23/h2-3,6-10,21H,4-5,11-15H2,1H3
InChIKeyRODOQVGQXRUFEA-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.24
Rot. Bonds2

About 2-(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1-pyrrolidin-1-ylethanone

2-(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1-pyrrolidin-1-ylethanone (PubChem CID 70481101) has the molecular formula C22H25NO and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1-pyrrolidin-1-ylethanone
PubChem CID70481101
Molecular FormulaC22H25NO
Molecular Weight319.45 g/mol
Exact Mass319.19
IUPAC Name2-(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1-pyrrolidin-1-ylethanone
SMILESCc1cccc2c1CCc1ccccc1C2CC(=O)N1CCCC1
InChIInChI=1S/C22H25NO/c1-16-7-6-10-20-18(16)12-11-17-8-2-3-9-19(17)21(20)15-22(24)23-13-4-5-14-23/h2-3,6-10,21H,4-5,11-15H2,1H3
InChIKeyRODOQVGQXRUFEA-UHFFFAOYSA-N
XLogP4.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1-pyrrolidin-1-ylethanone with MolForge

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Related Compounds

1-(4-acetyl-1,4-diazepan-1-yl)-2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)ethanone
CID 26394370
ethyl 2-(7-carbamoyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)acetate
CID 67811989
1-piperidin-1-yl-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)ethanone
CID 82089589
1-[2-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]acetyl]piperidine-4-carboxylic acid
CID 124702036
2-(2,3-dihydro-1H-inden-1-yl)-1-[4-(4-methylphenyl)-1,4-diazepan-1-yl]ethanone
CID 86955627
2-(2,3-dihydro-1H-isoindol-1-yl)-1-pyrrolidin-1-ylethanone
CID 115104686
2-(2,3-dihydro-1H-inden-1-ylamino)-1-piperidin-1-ylethanone
CID 43411240
2-(2,3-dihydro-1H-inden-1-yl)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone
CID 138809140
2-(9,10-dihydrophenanthren-9-yl)-1-pyrrolidin-1-ylethanone
CID 170552669
1-piperidin-1-yl-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethanone
CID 43410641
2-cyclohexyl-1-[4-[2-(2,3-dihydro-1H-inden-1-yl)acetyl]piperazin-1-yl]ethanone
CID 86955748
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[4-[(2-fluorophenyl)methyl]-1,4-diazepan-1-yl]ethanone
CID 125175375

Frequently Asked Questions

What is the IUPAC name of 2-(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1-pyrrolidin-1-ylethanone (CID 70481101) is 2-(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1-pyrrolidin-1-ylethanone is Cc1cccc2c1CCc1ccccc1C2CC(=O)N1CCCC1.
What is the InChIKey of 2-(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1-pyrrolidin-1-ylethanone?
The InChIKey is RODOQVGQXRUFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25NO/c1-16-7-6-10-20-18(16)12-11-17-8-2-3-9-19(17)21(20)15-22(24)23-13-4-5-14-23/h2-3,6-10,21H,4-5,11-15H2,1H3.
What are the key properties of 2-(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1-pyrrolidin-1-ylethanone?
2-(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1-pyrrolidin-1-ylethanone has a molecular weight of 319.45 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 70481101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).