15-methyl-15-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene

C20H15N — CID 130444567

IUPAC15-methyl-15-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene
SMILESCN1C=Cc2cc3c(c4cccc1c24)Cc1ccccc1-3
InChIInChI=1S/C20H15N/c1-21-10-9-14-12-17-15-6-3-2-5-13(15)11-18(17)16-7-4-8-19(21)20(14)16/h2-10,12H,11H2,1H3
InChIKeyLRUXEMAZONBZJR-UHFFFAOYSA-N
MW269.35 g/mol
LogP4.83
Rot. Bonds

About 15-methyl-15-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene

15-methyl-15-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene (PubChem CID 130444567) has the molecular formula C20H15N and a molecular weight of 269.35 g/mol. Its IUPAC name is 15-methyl-15-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene.

Molecular Properties

Compound Name15-methyl-15-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene
PubChem CID130444567
Molecular FormulaC20H15N
Molecular Weight269.35 g/mol
Exact Mass269.12
IUPAC Name15-methyl-15-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene
SMILESCN1C=Cc2cc3c(c4cccc1c24)Cc1ccccc1-3
InChIInChI=1S/C20H15N/c1-21-10-9-14-12-17-15-6-3-2-5-13(15)11-18(17)16-7-4-8-19(21)20(14)16/h2-10,12H,11H2,1H3
InChIKeyLRUXEMAZONBZJR-UHFFFAOYSA-N
XLogP4.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 15-methyl-15-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 15-methyl-15-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene?
The IUPAC name of 15-methyl-15-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene (CID 130444567) is 15-methyl-15-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene.
What is the SMILES notation for 15-methyl-15-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene?
The canonical SMILES for 15-methyl-15-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene is CN1C=Cc2cc3c(c4cccc1c24)Cc1ccccc1-3.
What is the InChIKey of 15-methyl-15-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene?
The InChIKey is LRUXEMAZONBZJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N/c1-21-10-9-14-12-17-15-6-3-2-5-13(15)11-18(17)16-7-4-8-19(21)20(14)16/h2-10,12H,11H2,1H3.
What are the key properties of 15-methyl-15-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene?
15-methyl-15-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene has a molecular weight of 269.35 g/mol, XLogP of 4.83, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-methyl-15-azapentacyclo[10.7.1.02,10.04,9.016,20]icosa-1(20),2(10),4,6,8,11,13,16,18-nonaene is sourced from PubChem (CID 130444567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).