(2R,4S)-15-methyl-3-methylidene-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene

C20H16N+ — CID 174293968

IUPAC(2R,4S)-15-methyl-3-methylidene-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene
SMILESC=C1[C@@H]2c3ccccc3-c3ccc4c(C)cccc4[n+]3[C@@H]12
InChIInChI=1S/C20H16N/c1-12-6-5-9-17-14(12)10-11-18-15-7-3-4-8-16(15)19-13(2)20(19)21(17)18/h3-11,19-20H,2H2,1H3/q+1/t19-,20+/m1/s1
InChIKeyFORZAIWIJZMICS-UXHICEINSA-N
MW270.36 g/mol
LogP4.31
Rot. Bonds

About (2R,4S)-15-methyl-3-methylidene-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene

(2R,4S)-15-methyl-3-methylidene-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene (PubChem CID 174293968) has the molecular formula C20H16N+ and a molecular weight of 270.36 g/mol. Its IUPAC name is (2R,4S)-15-methyl-3-methylidene-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene.

Molecular Properties

Compound Name(2R,4S)-15-methyl-3-methylidene-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene
PubChem CID174293968
Molecular FormulaC20H16N+
Molecular Weight270.36 g/mol
Exact Mass270.13
IUPAC Name(2R,4S)-15-methyl-3-methylidene-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene
SMILESC=C1[C@@H]2c3ccccc3-c3ccc4c(C)cccc4[n+]3[C@@H]12
InChIInChI=1S/C20H16N/c1-12-6-5-9-17-14(12)10-11-18-15-7-3-4-8-16(15)19-13(2)20(19)21(17)18/h3-11,19-20H,2H2,1H3/q+1/t19-,20+/m1/s1
InChIKeyFORZAIWIJZMICS-UXHICEINSA-N
XLogP4.31
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2R,4S)-15-methyl-3-methylidene-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-15-methyl-3-methylidene-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene?
The IUPAC name of (2R,4S)-15-methyl-3-methylidene-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene (CID 174293968) is (2R,4S)-15-methyl-3-methylidene-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene.
What is the SMILES notation for (2R,4S)-15-methyl-3-methylidene-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene?
The canonical SMILES for (2R,4S)-15-methyl-3-methylidene-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene is C=C1[C@@H]2c3ccccc3-c3ccc4c(C)cccc4[n+]3[C@@H]12.
What is the InChIKey of (2R,4S)-15-methyl-3-methylidene-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene?
The InChIKey is FORZAIWIJZMICS-UXHICEINSA-N. The full InChI is InChI=1S/C20H16N/c1-12-6-5-9-17-14(12)10-11-18-15-7-3-4-8-16(15)19-13(2)20(19)21(17)18/h3-11,19-20H,2H2,1H3/q+1/t19-,20+/m1/s1.
What are the key properties of (2R,4S)-15-methyl-3-methylidene-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene?
(2R,4S)-15-methyl-3-methylidene-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene has a molecular weight of 270.36 g/mol, XLogP of 4.31, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-15-methyl-3-methylidene-1-azoniapentacyclo[9.8.0.02,4.05,10.014,19]nonadeca-1(11),5,7,9,12,14,16,18-octaene is sourced from PubChem (CID 174293968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).