1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)pyrrolidine

C12H17NO — CID 125460455

IUPAC1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)pyrrolidine
SMILESC1=CC=C(OCCN2CCCC2)CC=1
InChIInChI=1S/C12H17NO/c1-2-6-12(7-3-1)14-11-10-13-8-4-5-9-13/h2-3,6H,4-5,7-11H2
InChIKeyQJRXVYGEMCBAKG-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.10
Rot. Bonds4

About 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)pyrrolidine

1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)pyrrolidine (PubChem CID 125460455) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)pyrrolidine
PubChem CID125460455
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)pyrrolidine
SMILESC1=CC=C(OCCN2CCCC2)CC=1
InChIInChI=1S/C12H17NO/c1-2-6-12(7-3-1)14-11-10-13-8-4-5-9-13/h2-3,6H,4-5,7-11H2
InChIKeyQJRXVYGEMCBAKG-UHFFFAOYSA-N
XLogP2.10
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)pyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(5-Fluorocyclohepta-1,3,5-trien-1-yl)oxy-1-methylpyrrolidine
CID 132108890
1-(2-Cyclohexa-1,5-dien-1-yloxyethyl)pyrrolidine
CID 17915424
1-[(5-Methyl-2,3-dihydrofuran-2-yl)methyl]pyrrolidine
CID 53777025
1-[2-(6-Methylcyclohexa-1,3-dien-1-yl)oxyethyl]pyrrolidine
CID 69022960
1-(3-Cyclohexa-1,3-dien-1-yloxypropyl)pyrrolidine
CID 91569958
1-[2-[(E)-pent-2-en-2-yl]oxyethyl]pyrrolidine
CID 129289045
CID 142057030
CID 142057030
1-[2-(4-Methylcyclohepta-1,3,5-trien-1-yl)oxyethyl]pyrrolidine
CID 143265863
1-[2-[(E)-5,5-dimethylhex-3-en-3-yl]oxyethyl]pyrrolidine
CID 155022385
1-[2-[(E)-pent-2-en-3-yl]oxyethyl]pyrrolidine
CID 143464234
1-(2-Cyclohexa-1,3,4-trien-1-yloxyethyl)piperidine
CID 171377231
2-cyclohexa-1,3,4-trien-1-yloxy-N,N-diethylethanamine
CID 172975734

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)pyrrolidine?
The IUPAC name of 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)pyrrolidine (CID 125460455) is 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)pyrrolidine.
What is the SMILES notation for 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)pyrrolidine?
The canonical SMILES for 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)pyrrolidine is C1=CC=C(OCCN2CCCC2)CC=1.
What is the InChIKey of 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)pyrrolidine?
The InChIKey is QJRXVYGEMCBAKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-2-6-12(7-3-1)14-11-10-13-8-4-5-9-13/h2-3,6H,4-5,7-11H2.
What are the key properties of 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)pyrrolidine?
1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)pyrrolidine has a molecular weight of 191.27 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclohexa-1,3,4-trien-1-yloxyethyl)pyrrolidine is sourced from PubChem (CID 125460455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).