3-ethyl-1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidine

C16H27N — CID 90875419

IUPAC3-ethyl-1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidine
SMILESCCC1CCN(C2C=CC(C)=CC(C)C2C)C1
InChIInChI=1S/C16H27N/c1-5-15-8-9-17(11-15)16-7-6-12(2)10-13(3)14(16)4/h6-7,10,13-16H,5,8-9,11H2,1-4H3
InChIKeyWBVXINWREKVGTJ-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.88
Rot. Bonds2

About 3-ethyl-1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidine

3-ethyl-1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidine (PubChem CID 90875419) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 3-ethyl-1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidine.

Molecular Properties

Compound Name3-ethyl-1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidine
PubChem CID90875419
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name3-ethyl-1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidine
SMILESCCC1CCN(C2C=CC(C)=CC(C)C2C)C1
InChIInChI=1S/C16H27N/c1-5-15-8-9-17(11-15)16-7-6-12(2)10-13(3)14(16)4/h6-7,10,13-16H,5,8-9,11H2,1-4H3
InChIKeyWBVXINWREKVGTJ-UHFFFAOYSA-N
XLogP3.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidine?
The IUPAC name of 3-ethyl-1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidine (CID 90875419) is 3-ethyl-1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidine.
What is the SMILES notation for 3-ethyl-1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidine?
The canonical SMILES for 3-ethyl-1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidine is CCC1CCN(C2C=CC(C)=CC(C)C2C)C1.
What is the InChIKey of 3-ethyl-1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidine?
The InChIKey is WBVXINWREKVGTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-5-15-8-9-17(11-15)16-7-6-12(2)10-13(3)14(16)4/h6-7,10,13-16H,5,8-9,11H2,1-4H3.
What are the key properties of 3-ethyl-1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidine?
3-ethyl-1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidine has a molecular weight of 233.40 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(4,6,7-trimethylcyclohepta-2,4-dien-1-yl)pyrrolidine is sourced from PubChem (CID 90875419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).