1-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-2,5-dimethylidenepyrrolidine

C15H21N — CID 143300779

IUPAC1-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-2,5-dimethylidenepyrrolidine
SMILESC=C1CCC(=C)N1CC1=CCC(C)(C)C=C1
InChIInChI=1S/C15H21N/c1-12-5-6-13(2)16(12)11-14-7-9-15(3,4)10-8-14/h7-9H,1-2,5-6,10-11H2,3-4H3
InChIKeyYRPOXMPQTAYDJL-UHFFFAOYSA-N
MW215.34 g/mol
LogP4.02
Rot. Bonds2

About 1-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-2,5-dimethylidenepyrrolidine

1-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-2,5-dimethylidenepyrrolidine (PubChem CID 143300779) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-2,5-dimethylidenepyrrolidine.

Molecular Properties

Compound Name1-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-2,5-dimethylidenepyrrolidine
PubChem CID143300779
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-2,5-dimethylidenepyrrolidine
SMILESC=C1CCC(=C)N1CC1=CCC(C)(C)C=C1
InChIInChI=1S/C15H21N/c1-12-5-6-13(2)16(12)11-14-7-9-15(3,4)10-8-14/h7-9H,1-2,5-6,10-11H2,3-4H3
InChIKeyYRPOXMPQTAYDJL-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-2,5-dimethylidenepyrrolidine?
The IUPAC name of 1-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-2,5-dimethylidenepyrrolidine (CID 143300779) is 1-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-2,5-dimethylidenepyrrolidine.
What is the SMILES notation for 1-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-2,5-dimethylidenepyrrolidine?
The canonical SMILES for 1-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-2,5-dimethylidenepyrrolidine is C=C1CCC(=C)N1CC1=CCC(C)(C)C=C1.
What is the InChIKey of 1-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-2,5-dimethylidenepyrrolidine?
The InChIKey is YRPOXMPQTAYDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-12-5-6-13(2)16(12)11-14-7-9-15(3,4)10-8-14/h7-9H,1-2,5-6,10-11H2,3-4H3.
What are the key properties of 1-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-2,5-dimethylidenepyrrolidine?
1-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-2,5-dimethylidenepyrrolidine has a molecular weight of 215.34 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-dimethylcyclohexa-1,5-dien-1-yl)methyl]-2,5-dimethylidenepyrrolidine is sourced from PubChem (CID 143300779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).