5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole;hydrochloride

C12H18ClN — CID 141476475

IUPAC5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole;hydrochloride
SMILESCC1C=CC=CC1(C)C1=NCCC1.Cl
InChIInChI=1S/C12H17N.ClH/c1-10-6-3-4-8-12(10,2)11-7-5-9-13-11;/h3-4,6,8,10H,5,7,9H2,1-2H3;1H
InChIKeyFBYINRHHSWJWGV-UHFFFAOYSA-N
MW211.74 g/mol
LogP3.41
Rot. Bonds1

About 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole;hydrochloride

5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole;hydrochloride (PubChem CID 141476475) has the molecular formula C12H18ClN and a molecular weight of 211.74 g/mol. Its IUPAC name is 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole;hydrochloride.

Molecular Properties

Compound Name5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole;hydrochloride
PubChem CID141476475
Molecular FormulaC12H18ClN
Molecular Weight211.74 g/mol
Exact Mass211.11
IUPAC Name5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole;hydrochloride
SMILESCC1C=CC=CC1(C)C1=NCCC1.Cl
InChIInChI=1S/C12H17N.ClH/c1-10-6-3-4-8-12(10,2)11-7-5-9-13-11;/h3-4,6,8,10H,5,7,9H2,1-2H3;1H
InChIKeyFBYINRHHSWJWGV-UHFFFAOYSA-N
XLogP3.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.74
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5-[(1R,6S)-7-methylidene-1-bicyclo[4.2.0]octa-2,4-dienyl]-3,4-dihydro-2H-pyrrole
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Frequently Asked Questions

What is the IUPAC name of 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole;hydrochloride?
The IUPAC name of 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole;hydrochloride (CID 141476475) is 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole;hydrochloride.
What is the SMILES notation for 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole;hydrochloride?
The canonical SMILES for 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole;hydrochloride is CC1C=CC=CC1(C)C1=NCCC1.Cl.
What is the InChIKey of 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole;hydrochloride?
The InChIKey is FBYINRHHSWJWGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.ClH/c1-10-6-3-4-8-12(10,2)11-7-5-9-13-11;/h3-4,6,8,10H,5,7,9H2,1-2H3;1H.
What are the key properties of 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole;hydrochloride?
5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole;hydrochloride has a molecular weight of 211.74 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,6-dimethylcyclohexa-2,4-dien-1-yl)-3,4-dihydro-2H-pyrrole;hydrochloride is sourced from PubChem (CID 141476475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).