5,6-dimethyl-1,4-bis(prop-1-enyl)-2,3-dihydropyridin-1-ium

C13H20N+ — CID 123238844

IUPAC5,6-dimethyl-1,4-bis(prop-1-enyl)-2,3-dihydropyridin-1-ium
SMILESCC=CC1=C(C)C(C)=[N+](C=CC)CC1
InChIInChI=1S/C13H20N/c1-5-7-13-8-10-14(9-6-2)12(4)11(13)3/h5-7,9H,8,10H2,1-4H3/q+1
InChIKeyLOSZYRNIUVPEMQ-UHFFFAOYSA-N
MW190.31 g/mol
LogP3.29
Rot. Bonds2

About 5,6-dimethyl-1,4-bis(prop-1-enyl)-2,3-dihydropyridin-1-ium

5,6-dimethyl-1,4-bis(prop-1-enyl)-2,3-dihydropyridin-1-ium (PubChem CID 123238844) has the molecular formula C13H20N+ and a molecular weight of 190.31 g/mol. Its IUPAC name is 5,6-dimethyl-1,4-bis(prop-1-enyl)-2,3-dihydropyridin-1-ium.

Molecular Properties

Compound Name5,6-dimethyl-1,4-bis(prop-1-enyl)-2,3-dihydropyridin-1-ium
PubChem CID123238844
Molecular FormulaC13H20N+
Molecular Weight190.31 g/mol
Exact Mass190.16
IUPAC Name5,6-dimethyl-1,4-bis(prop-1-enyl)-2,3-dihydropyridin-1-ium
SMILESCC=CC1=C(C)C(C)=[N+](C=CC)CC1
InChIInChI=1S/C13H20N/c1-5-7-13-8-10-14(9-6-2)12(4)11(13)3/h5-7,9H,8,10H2,1-4H3/q+1
InChIKeyLOSZYRNIUVPEMQ-UHFFFAOYSA-N
XLogP3.29
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 53.29
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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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1,4-bis(prop-1-enyl)-2,3-dihydropyridin-1-ium?
The IUPAC name of 5,6-dimethyl-1,4-bis(prop-1-enyl)-2,3-dihydropyridin-1-ium (CID 123238844) is 5,6-dimethyl-1,4-bis(prop-1-enyl)-2,3-dihydropyridin-1-ium.
What is the SMILES notation for 5,6-dimethyl-1,4-bis(prop-1-enyl)-2,3-dihydropyridin-1-ium?
The canonical SMILES for 5,6-dimethyl-1,4-bis(prop-1-enyl)-2,3-dihydropyridin-1-ium is CC=CC1=C(C)C(C)=[N+](C=CC)CC1.
What is the InChIKey of 5,6-dimethyl-1,4-bis(prop-1-enyl)-2,3-dihydropyridin-1-ium?
The InChIKey is LOSZYRNIUVPEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N/c1-5-7-13-8-10-14(9-6-2)12(4)11(13)3/h5-7,9H,8,10H2,1-4H3/q+1.
What are the key properties of 5,6-dimethyl-1,4-bis(prop-1-enyl)-2,3-dihydropyridin-1-ium?
5,6-dimethyl-1,4-bis(prop-1-enyl)-2,3-dihydropyridin-1-ium has a molecular weight of 190.31 g/mol, XLogP of 3.29, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1,4-bis(prop-1-enyl)-2,3-dihydropyridin-1-ium is sourced from PubChem (CID 123238844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).