1-(4-bromocyclohexa-1,3-dien-1-yl)pyrrolidine

C10H14BrN — CID 142367499

IUPAC1-(4-bromocyclohexa-1,3-dien-1-yl)pyrrolidine
SMILESBrC1=CC=C(N2CCCC2)CC1
InChIInChI=1S/C10H14BrN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h3,5H,1-2,4,6-8H2
InChIKeyGQXOQMSJEGOCBG-UHFFFAOYSA-N
MW228.13 g/mol
LogP3.04
Rot. Bonds1

About 1-(4-bromocyclohexa-1,3-dien-1-yl)pyrrolidine

1-(4-bromocyclohexa-1,3-dien-1-yl)pyrrolidine (PubChem CID 142367499) has the molecular formula C10H14BrN and a molecular weight of 228.13 g/mol. Its IUPAC name is 1-(4-bromocyclohexa-1,3-dien-1-yl)pyrrolidine.

Molecular Properties

Compound Name1-(4-bromocyclohexa-1,3-dien-1-yl)pyrrolidine
PubChem CID142367499
Molecular FormulaC10H14BrN
Molecular Weight228.13 g/mol
Exact Mass227.03
IUPAC Name1-(4-bromocyclohexa-1,3-dien-1-yl)pyrrolidine
SMILESBrC1=CC=C(N2CCCC2)CC1
InChIInChI=1S/C10H14BrN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h3,5H,1-2,4,6-8H2
InChIKeyGQXOQMSJEGOCBG-UHFFFAOYSA-N
XLogP3.04
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Cyclohexa-1,3-dien-1-ylpyrrolidine
CID 17900790
4-bromo-N-(2-fluoroethyl)-N-methylcyclohexa-1,3-dien-1-amine
CID 163884437
1-Cyclohexa-1,5-dien-1-ylpyrrolidine;hydrobromide
CID 21642589
1-Cyclohexa-1,5-dien-1-ylpyrrolidine
CID 21642590
1-(1-Bromocyclohexa-2,4-dien-1-yl)-2,3-dihydropyrrole
CID 139880349
3-Bromo-1,2,3,5-tetrahydroindolizine
CID 140516211
1-Bromo-1,2,3,5-tetrahydroindolizine
CID 140516225
4-bromo-N,N-dimethylcyclohexa-1,3-dien-1-amine
CID 142309024
1-(5-Bromocyclohexa-1,5-dien-1-yl)pyrrolidine
CID 173233295

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromocyclohexa-1,3-dien-1-yl)pyrrolidine?
The IUPAC name of 1-(4-bromocyclohexa-1,3-dien-1-yl)pyrrolidine (CID 142367499) is 1-(4-bromocyclohexa-1,3-dien-1-yl)pyrrolidine.
What is the SMILES notation for 1-(4-bromocyclohexa-1,3-dien-1-yl)pyrrolidine?
The canonical SMILES for 1-(4-bromocyclohexa-1,3-dien-1-yl)pyrrolidine is BrC1=CC=C(N2CCCC2)CC1.
What is the InChIKey of 1-(4-bromocyclohexa-1,3-dien-1-yl)pyrrolidine?
The InChIKey is GQXOQMSJEGOCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN/c11-9-3-5-10(6-4-9)12-7-1-2-8-12/h3,5H,1-2,4,6-8H2.
What are the key properties of 1-(4-bromocyclohexa-1,3-dien-1-yl)pyrrolidine?
1-(4-bromocyclohexa-1,3-dien-1-yl)pyrrolidine has a molecular weight of 228.13 g/mol, XLogP of 3.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromocyclohexa-1,3-dien-1-yl)pyrrolidine is sourced from PubChem (CID 142367499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).