1-cyclohexa-1,5-dien-1-yl-2,5-dimethylpyrrolidine

C12H19N — CID 22733830

IUPAC1-cyclohexa-1,5-dien-1-yl-2,5-dimethylpyrrolidine
SMILESCC1CCC(C)N1C1=CCCC=C1
InChIInChI=1S/C12H19N/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h4,6-7,10-11H,3,5,8-9H2,1-2H3
InChIKeyUMGCZIZSKVAVGO-UHFFFAOYSA-N
MW177.29 g/mol
LogP3.09
Rot. Bonds1

About 1-cyclohexa-1,5-dien-1-yl-2,5-dimethylpyrrolidine

1-cyclohexa-1,5-dien-1-yl-2,5-dimethylpyrrolidine (PubChem CID 22733830) has the molecular formula C12H19N and a molecular weight of 177.29 g/mol. Its IUPAC name is 1-cyclohexa-1,5-dien-1-yl-2,5-dimethylpyrrolidine.

Molecular Properties

Compound Name1-cyclohexa-1,5-dien-1-yl-2,5-dimethylpyrrolidine
PubChem CID22733830
Molecular FormulaC12H19N
Molecular Weight177.29 g/mol
Exact Mass177.15
IUPAC Name1-cyclohexa-1,5-dien-1-yl-2,5-dimethylpyrrolidine
SMILESCC1CCC(C)N1C1=CCCC=C1
InChIInChI=1S/C12H19N/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h4,6-7,10-11H,3,5,8-9H2,1-2H3
InChIKeyUMGCZIZSKVAVGO-UHFFFAOYSA-N
XLogP3.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.29
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2,5-dimethylpyrrolidine?
The IUPAC name of 1-cyclohexa-1,5-dien-1-yl-2,5-dimethylpyrrolidine (CID 22733830) is 1-cyclohexa-1,5-dien-1-yl-2,5-dimethylpyrrolidine.
What is the SMILES notation for 1-cyclohexa-1,5-dien-1-yl-2,5-dimethylpyrrolidine?
The canonical SMILES for 1-cyclohexa-1,5-dien-1-yl-2,5-dimethylpyrrolidine is CC1CCC(C)N1C1=CCCC=C1.
What is the InChIKey of 1-cyclohexa-1,5-dien-1-yl-2,5-dimethylpyrrolidine?
The InChIKey is UMGCZIZSKVAVGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N/c1-10-8-9-11(2)13(10)12-6-4-3-5-7-12/h4,6-7,10-11H,3,5,8-9H2,1-2H3.
What are the key properties of 1-cyclohexa-1,5-dien-1-yl-2,5-dimethylpyrrolidine?
1-cyclohexa-1,5-dien-1-yl-2,5-dimethylpyrrolidine has a molecular weight of 177.29 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexa-1,5-dien-1-yl-2,5-dimethylpyrrolidine is sourced from PubChem (CID 22733830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).