1,2-dimethyl-2,3-dihydroquinolin-1-ium

C11H14N+ — CID 89324226

IUPAC1,2-dimethyl-2,3-dihydroquinolin-1-ium
SMILESCC1CC=c2ccccc2=[N+]1C
InChIInChI=1S/C11H14N/c1-9-7-8-10-5-3-4-6-11(10)12(9)2/h3-6,8-9H,7H2,1-2H3/q+1
InChIKeyYFCMFHMOAZLSTM-UHFFFAOYSA-N
MW160.24 g/mol
LogP0.38
Rot. Bonds

About 1,2-dimethyl-2,3-dihydroquinolin-1-ium

1,2-dimethyl-2,3-dihydroquinolin-1-ium (PubChem CID 89324226) has the molecular formula C11H14N+ and a molecular weight of 160.24 g/mol. Its IUPAC name is 1,2-dimethyl-2,3-dihydroquinolin-1-ium.

Molecular Properties

Compound Name1,2-dimethyl-2,3-dihydroquinolin-1-ium
PubChem CID89324226
Molecular FormulaC11H14N+
Molecular Weight160.24 g/mol
Exact Mass160.11
IUPAC Name1,2-dimethyl-2,3-dihydroquinolin-1-ium
SMILESCC1CC=c2ccccc2=[N+]1C
InChIInChI=1S/C11H14N/c1-9-7-8-10-5-3-4-6-11(10)12(9)2/h3-6,8-9H,7H2,1-2H3/q+1
InChIKeyYFCMFHMOAZLSTM-UHFFFAOYSA-N
XLogP0.38
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Dimethyl-(4-methylidenecyclohexa-2,5-dien-1-ylidene)azanium
CID 18457916
3h-Quinoline
CID 22027752
4-Methyl-2,3-dihydroquinoline
CID 68274032
3-Methylquinazoline
CID 68345740
2,3,3-Trimethylquinoline
CID 141733304
7-Fluoro-2,3-dihydroquinoline
CID 151940112
2-Fluoro-2,3-dihydroquinoline
CID 152083894
6-Fluoro-7-iodo-1,2-dimethyl-8,8a-dihydroquinolin-1-ium
CID 163701804
10-Methyl-4a,9a-dihydroacridin-10-ium
CID 135024985
1,2,2,3-tetramethyl-3H-quinolin-1-ium
CID 139243633
dimethyl-[(6Z)-6-naphthalen-1-ylidenecyclohexa-2,4-dien-1-ylidene]azanium
CID 154707776
2,3-Dihydrobenzo[g]quinoline
CID 21712583

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2,3-dihydroquinolin-1-ium?
The IUPAC name of 1,2-dimethyl-2,3-dihydroquinolin-1-ium (CID 89324226) is 1,2-dimethyl-2,3-dihydroquinolin-1-ium.
What is the SMILES notation for 1,2-dimethyl-2,3-dihydroquinolin-1-ium?
The canonical SMILES for 1,2-dimethyl-2,3-dihydroquinolin-1-ium is CC1CC=c2ccccc2=[N+]1C.
What is the InChIKey of 1,2-dimethyl-2,3-dihydroquinolin-1-ium?
The InChIKey is YFCMFHMOAZLSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N/c1-9-7-8-10-5-3-4-6-11(10)12(9)2/h3-6,8-9H,7H2,1-2H3/q+1.
What are the key properties of 1,2-dimethyl-2,3-dihydroquinolin-1-ium?
1,2-dimethyl-2,3-dihydroquinolin-1-ium has a molecular weight of 160.24 g/mol, XLogP of 0.38, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2,3-dihydroquinolin-1-ium is sourced from PubChem (CID 89324226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).