2-cyclohexa-2,4-dien-1-yl-1-methylpyrrolidine

C11H17N — CID 88997226

IUPAC2-cyclohexa-2,4-dien-1-yl-1-methylpyrrolidine
SMILESCN1CCCC1C1C=CC=CC1
InChIInChI=1S/C11H17N/c1-12-9-5-8-11(12)10-6-3-2-4-7-10/h2-4,6,10-11H,5,7-9H2,1H3
InChIKeyDOTPWAUZQQTBTP-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.21
Rot. Bonds1

About 2-cyclohexa-2,4-dien-1-yl-1-methylpyrrolidine

2-cyclohexa-2,4-dien-1-yl-1-methylpyrrolidine (PubChem CID 88997226) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-1-methylpyrrolidine.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-1-methylpyrrolidine
PubChem CID88997226
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name2-cyclohexa-2,4-dien-1-yl-1-methylpyrrolidine
SMILESCN1CCCC1C1C=CC=CC1
InChIInChI=1S/C11H17N/c1-12-9-5-8-11(12)10-6-3-2-4-7-10/h2-4,6,10-11H,5,7-9H2,1H3
InChIKeyDOTPWAUZQQTBTP-UHFFFAOYSA-N
XLogP2.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-1-methylpyrrolidine?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-1-methylpyrrolidine (CID 88997226) is 2-cyclohexa-2,4-dien-1-yl-1-methylpyrrolidine.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-1-methylpyrrolidine?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-1-methylpyrrolidine is CN1CCCC1C1C=CC=CC1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-1-methylpyrrolidine?
The InChIKey is DOTPWAUZQQTBTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-12-9-5-8-11(12)10-6-3-2-4-7-10/h2-4,6,10-11H,5,7-9H2,1H3.
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-1-methylpyrrolidine?
2-cyclohexa-2,4-dien-1-yl-1-methylpyrrolidine has a molecular weight of 163.26 g/mol, XLogP of 2.21, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-1-methylpyrrolidine is sourced from PubChem (CID 88997226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).