1-methyl-2,3-dihydroquinolin-1-ium

C10H12N+ — CID 10467998

IUPAC1-methyl-2,3-dihydroquinolin-1-ium
SMILESC[N+]1=c2ccccc2=CCC1
InChIInChI=1S/C10H12N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5-7H,4,8H2,1H3/q+1
InChIKeyCUDDMFLTAQMVRO-UHFFFAOYSA-N
MW146.21 g/mol
LogP-0.01
Rot. Bonds

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

1-methyl-2,3-dihydroquinolin-1-ium (PubChem CID 10467998) has the molecular formula C10H12N+ and a molecular weight of 146.21 g/mol. Its IUPAC name is 1-methyl-2,3-dihydroquinolin-1-ium.

Molecular Properties

Compound Name1-methyl-2,3-dihydroquinolin-1-ium
PubChem CID10467998
Molecular FormulaC10H12N+
Molecular Weight146.21 g/mol
Exact Mass146.10
IUPAC Name1-methyl-2,3-dihydroquinolin-1-ium
SMILESC[N+]1=c2ccccc2=CCC1
InChIInChI=1S/C10H12N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5-7H,4,8H2,1H3/q+1
InChIKeyCUDDMFLTAQMVRO-UHFFFAOYSA-N
XLogP-0.01
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.21
LogP ≤ 5-0.01
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
(5-Fluoro-4-methyl-6-methylidenecyclohexa-2,4-dien-1-ylidene)-dimethylazanium
CID 141963440
7-Fluoro-2,3-dihydroquinoline
CID 151940112
2-Fluoro-2,3-dihydroquinoline
CID 152083894
6-Fluoro-2,6-dihydroquinoline
CID 173531805
N-(1-fluoroethyl)-6-methylidenecyclohexa-2,4-dien-1-imine
CID 173813481
1-Methylpyrroloquinoline
CID 129800346
10-Methyl-4a,9a-dihydroacridin-10-ium
CID 135024985

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2,3-dihydroquinolin-1-ium?
The IUPAC name of 1-methyl-2,3-dihydroquinolin-1-ium (CID 10467998) is 1-methyl-2,3-dihydroquinolin-1-ium.
What is the SMILES notation for 1-methyl-2,3-dihydroquinolin-1-ium?
The canonical SMILES for 1-methyl-2,3-dihydroquinolin-1-ium is C[N+]1=c2ccccc2=CCC1.
What is the InChIKey of 1-methyl-2,3-dihydroquinolin-1-ium?
The InChIKey is CUDDMFLTAQMVRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N/c1-11-8-4-6-9-5-2-3-7-10(9)11/h2-3,5-7H,4,8H2,1H3/q+1.
What are the key properties of 1-methyl-2,3-dihydroquinolin-1-ium?
1-methyl-2,3-dihydroquinolin-1-ium has a molecular weight of 146.21 g/mol, XLogP of -0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2,3-dihydroquinolin-1-ium is sourced from PubChem (CID 10467998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).