3-cyclohexa-1,3-dien-1-yl-1-methylpyrrolidine

C11H17N — CID 143969479

IUPAC3-cyclohexa-1,3-dien-1-yl-1-methylpyrrolidine
SMILESCN1CCC(C2=CC=CCC2)C1
InChIInChI=1S/C11H17N/c1-12-8-7-11(9-12)10-5-3-2-4-6-10/h2-3,5,11H,4,6-9H2,1H3
InChIKeyPFHVSRNDUPSHLI-UHFFFAOYSA-N
MW163.26 g/mol
LogP2.21
Rot. Bonds1

About 3-cyclohexa-1,3-dien-1-yl-1-methylpyrrolidine

3-cyclohexa-1,3-dien-1-yl-1-methylpyrrolidine (PubChem CID 143969479) has the molecular formula C11H17N and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-cyclohexa-1,3-dien-1-yl-1-methylpyrrolidine.

Molecular Properties

Compound Name3-cyclohexa-1,3-dien-1-yl-1-methylpyrrolidine
PubChem CID143969479
Molecular FormulaC11H17N
Molecular Weight163.26 g/mol
Exact Mass163.14
IUPAC Name3-cyclohexa-1,3-dien-1-yl-1-methylpyrrolidine
SMILESCN1CCC(C2=CC=CCC2)C1
InChIInChI=1S/C11H17N/c1-12-8-7-11(9-12)10-5-3-2-4-6-10/h2-3,5,11H,4,6-9H2,1H3
InChIKeyPFHVSRNDUPSHLI-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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Related Compounds

Pyrrolidine, 1-(3-cyclohexene-1-ylmethyl)-, hydrochloride
CID 200464
2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-methyl-, (Z)-
CID 108269
2H-Benz(e)isoindoline, 3a,4,5,9b-tetrahydro-2-ethyl-, hydrochloride, (Z)-
CID 108280
3-Cyclohexene-1-methylamine, N,N-diethyl-, hydrochloride
CID 200463
4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
(3R)-3-[(2Z,4E)-4-fluoro-3-methylhepta-2,4,6-trienyl]-1-methylpiperidine
CID 134292242
(6E,8E)-6-ethenyl-N,5-diethyl-9-fluoro-N-methyldeca-6,8-dien-1-amine
CID 134365586
3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylbutan-1-amine
CID 134365608
3-(4-fluorocyclohexa-1,3-dien-1-yl)-N,N-dimethylpentan-1-amine
CID 134365793
2-(3-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)-1,2-dimethylpyrrolidine
CID 134386445
1-(5,5-Difluorohexan-3-yl)-3-(4-fluorocyclohexa-1,3-dien-1-yl)pyrrolidine;ethane
CID 144148501
3-[(3Z,5E)-5-fluorohepta-1,3,5-trien-4-yl]-1-methylpyrrolidine
CID 144301362

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexa-1,3-dien-1-yl-1-methylpyrrolidine?
The IUPAC name of 3-cyclohexa-1,3-dien-1-yl-1-methylpyrrolidine (CID 143969479) is 3-cyclohexa-1,3-dien-1-yl-1-methylpyrrolidine.
What is the SMILES notation for 3-cyclohexa-1,3-dien-1-yl-1-methylpyrrolidine?
The canonical SMILES for 3-cyclohexa-1,3-dien-1-yl-1-methylpyrrolidine is CN1CCC(C2=CC=CCC2)C1.
What is the InChIKey of 3-cyclohexa-1,3-dien-1-yl-1-methylpyrrolidine?
The InChIKey is PFHVSRNDUPSHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N/c1-12-8-7-11(9-12)10-5-3-2-4-6-10/h2-3,5,11H,4,6-9H2,1H3.
What are the key properties of 3-cyclohexa-1,3-dien-1-yl-1-methylpyrrolidine?
3-cyclohexa-1,3-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 3-cyclohexa-1,3-dien-1-yl-1-methylpyrrolidine is sourced from PubChem (CID 143969479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).