2-methylidene-4-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,11,13,15,17-octaene

C19H15N — CID 18715218

IUPAC2-methylidene-4-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,11,13,15,17-octaene
SMILESC=C1c2cc3ccccc3cc2CCc2cccnc21
InChIInChI=1S/C19H15N/c1-13-18-12-16-6-3-2-5-15(16)11-17(18)9-8-14-7-4-10-20-19(13)14/h2-7,10-12H,1,8-9H2
InChIKeyZNBIOQVMEIIZCT-UHFFFAOYSA-N
MW257.34 g/mol
LogP4.39
Rot. Bonds

About 2-methylidene-4-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,11,13,15,17-octaene

2-methylidene-4-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,11,13,15,17-octaene (PubChem CID 18715218) has the molecular formula C19H15N and a molecular weight of 257.34 g/mol. Its IUPAC name is 2-methylidene-4-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,11,13,15,17-octaene.

Molecular Properties

Compound Name2-methylidene-4-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,11,13,15,17-octaene
PubChem CID18715218
Molecular FormulaC19H15N
Molecular Weight257.34 g/mol
Exact Mass257.12
IUPAC Name2-methylidene-4-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,11,13,15,17-octaene
SMILESC=C1c2cc3ccccc3cc2CCc2cccnc21
InChIInChI=1S/C19H15N/c1-13-18-12-16-6-3-2-5-15(16)11-17(18)9-8-14-7-4-10-20-19(13)14/h2-7,10-12H,1,8-9H2
InChIKeyZNBIOQVMEIIZCT-UHFFFAOYSA-N
XLogP4.39
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-4-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,11,13,15,17-octaene?
The IUPAC name of 2-methylidene-4-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,11,13,15,17-octaene (CID 18715218) is 2-methylidene-4-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,11,13,15,17-octaene.
What is the SMILES notation for 2-methylidene-4-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,11,13,15,17-octaene?
The canonical SMILES for 2-methylidene-4-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,11,13,15,17-octaene is C=C1c2cc3ccccc3cc2CCc2cccnc21.
What is the InChIKey of 2-methylidene-4-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,11,13,15,17-octaene?
The InChIKey is ZNBIOQVMEIIZCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N/c1-13-18-12-16-6-3-2-5-15(16)11-17(18)9-8-14-7-4-10-20-19(13)14/h2-7,10-12H,1,8-9H2.
What are the key properties of 2-methylidene-4-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,11,13,15,17-octaene?
2-methylidene-4-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,11,13,15,17-octaene has a molecular weight of 257.34 g/mol, XLogP of 4.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-4-azatetracyclo[9.8.0.03,8.013,18]nonadeca-1(19),3(8),4,6,11,13,15,17-octaene is sourced from PubChem (CID 18715218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).