1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,14,16,18-nonaene

C20H15N — CID 170223171

IUPAC1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,14,16,18-nonaene
SMILESC1=CC2=Cc3cccc4c3N(c3ccccc3C4)C2C=C1
InChIInChI=1S/C20H15N/c1-3-10-18-14(6-1)12-16-8-5-9-17-13-15-7-2-4-11-19(15)21(18)20(16)17/h1-12,18H,13H2
InChIKeyDTWUVXZGMDSSQL-UHFFFAOYSA-N
MW269.35 g/mol
LogP4.62
Rot. Bonds

About 1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,14,16,18-nonaene

1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,14,16,18-nonaene (PubChem CID 170223171) has the molecular formula C20H15N and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,14,16,18-nonaene.

Molecular Properties

Compound Name1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,14,16,18-nonaene
PubChem CID170223171
Molecular FormulaC20H15N
Molecular Weight269.35 g/mol
Exact Mass269.12
IUPAC Name1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,14,16,18-nonaene
SMILESC1=CC2=Cc3cccc4c3N(c3ccccc3C4)C2C=C1
InChIInChI=1S/C20H15N/c1-3-10-18-14(6-1)12-16-8-5-9-17-13-15-7-2-4-11-19(15)21(18)20(16)17/h1-12,18H,13H2
InChIKeyDTWUVXZGMDSSQL-UHFFFAOYSA-N
XLogP4.62
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 ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,14,16,18-nonaene?
The IUPAC name of 1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,14,16,18-nonaene (CID 170223171) is 1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,14,16,18-nonaene.
What is the SMILES notation for 1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,14,16,18-nonaene?
The canonical SMILES for 1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,14,16,18-nonaene is C1=CC2=Cc3cccc4c3N(c3ccccc3C4)C2C=C1.
What is the InChIKey of 1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,14,16,18-nonaene?
The InChIKey is DTWUVXZGMDSSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N/c1-3-10-18-14(6-1)12-16-8-5-9-17-13-15-7-2-4-11-19(15)21(18)20(16)17/h1-12,18H,13H2.
What are the key properties of 1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,14,16,18-nonaene?
1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,14,16,18-nonaene has a molecular weight of 269.35 g/mol, XLogP of 4.62, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-azapentacyclo[11.7.1.02,7.09,21.015,20]henicosa-2,4,6,9(21),10,12,14,16,18-nonaene is sourced from PubChem (CID 170223171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).