(2Z)-1-methylidene-2-(1-methyl-8H-naphthalen-2-ylidene)pyridin-1-ium

C17H16N+ — CID 140675514

IUPAC(2Z)-1-methylidene-2-(1-methyl-8H-naphthalen-2-ylidene)pyridin-1-ium
SMILESC=[n+]1cccc/c1=c1\ccc2c(c1C)CC=CC=2
InChIInChI=1S/C17H16N/c1-13-15-8-4-3-7-14(15)10-11-16(13)17-9-5-6-12-18(17)2/h3-7,9-12H,2,8H2,1H3/q+1/b17-16-
InChIKeyTYLSYZIMDSYDOQ-MSUUIHNZSA-N
MW234.32 g/mol
LogP2.10
Rot. Bonds

About (2Z)-1-methylidene-2-(1-methyl-8H-naphthalen-2-ylidene)pyridin-1-ium

(2Z)-1-methylidene-2-(1-methyl-8H-naphthalen-2-ylidene)pyridin-1-ium (PubChem CID 140675514) has the molecular formula C17H16N+ and a molecular weight of 234.32 g/mol. Its IUPAC name is (2Z)-1-methylidene-2-(1-methyl-8H-naphthalen-2-ylidene)pyridin-1-ium.

Molecular Properties

Compound Name(2Z)-1-methylidene-2-(1-methyl-8H-naphthalen-2-ylidene)pyridin-1-ium
PubChem CID140675514
Molecular FormulaC17H16N+
Molecular Weight234.32 g/mol
Exact Mass234.13
IUPAC Name(2Z)-1-methylidene-2-(1-methyl-8H-naphthalen-2-ylidene)pyridin-1-ium
SMILESC=[n+]1cccc/c1=c1\ccc2c(c1C)CC=CC=2
InChIInChI=1S/C17H16N/c1-13-15-8-4-3-7-14(15)10-11-16(13)17-9-5-6-12-18(17)2/h3-7,9-12H,2,8H2,1H3/q+1/b17-16-
InChIKeyTYLSYZIMDSYDOQ-MSUUIHNZSA-N
XLogP2.10
TPSA5.90 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.10
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 (2Z)-1-methylidene-2-(1-methyl-8H-naphthalen-2-ylidene)pyridin-1-ium?
The IUPAC name of (2Z)-1-methylidene-2-(1-methyl-8H-naphthalen-2-ylidene)pyridin-1-ium (CID 140675514) is (2Z)-1-methylidene-2-(1-methyl-8H-naphthalen-2-ylidene)pyridin-1-ium.
What is the SMILES notation for (2Z)-1-methylidene-2-(1-methyl-8H-naphthalen-2-ylidene)pyridin-1-ium?
The canonical SMILES for (2Z)-1-methylidene-2-(1-methyl-8H-naphthalen-2-ylidene)pyridin-1-ium is C=[n+]1cccc/c1=c1\ccc2c(c1C)CC=CC=2.
What is the InChIKey of (2Z)-1-methylidene-2-(1-methyl-8H-naphthalen-2-ylidene)pyridin-1-ium?
The InChIKey is TYLSYZIMDSYDOQ-MSUUIHNZSA-N. The full InChI is InChI=1S/C17H16N/c1-13-15-8-4-3-7-14(15)10-11-16(13)17-9-5-6-12-18(17)2/h3-7,9-12H,2,8H2,1H3/q+1/b17-16-.
What are the key properties of (2Z)-1-methylidene-2-(1-methyl-8H-naphthalen-2-ylidene)pyridin-1-ium?
(2Z)-1-methylidene-2-(1-methyl-8H-naphthalen-2-ylidene)pyridin-1-ium has a molecular weight of 234.32 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-methylidene-2-(1-methyl-8H-naphthalen-2-ylidene)pyridin-1-ium is sourced from PubChem (CID 140675514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).