11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene

C19H11N — CID 3033969

IUPAC11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene
SMILESC1=C2C(=Nc3ccc4ccccc4c32)c2ccccc21
InChIInChI=1S/C19H11N/c1-3-7-14-12(5-1)9-10-17-18(14)16-11-13-6-2-4-8-15(13)19(16)20-17/h1-11H
InChIKeyFHLNQZWAFUPLEL-UHFFFAOYSA-N
MW253.30 g/mol
LogP4.83
Rot. Bonds

About 11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene

11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene (PubChem CID 3033969) has the molecular formula C19H11N and a molecular weight of 253.30 g/mol. Its IUPAC name is 11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene.

Molecular Properties

Compound Name11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene
PubChem CID3033969
Molecular FormulaC19H11N
Molecular Weight253.30 g/mol
Exact Mass253.09
IUPAC Name11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene
SMILESC1=C2C(=Nc3ccc4ccccc4c32)c2ccccc21
InChIInChI=1S/C19H11N/c1-3-7-14-12(5-1)9-10-17-18(14)16-11-13-6-2-4-8-15(13)19(16)20-17/h1-11H
InChIKeyFHLNQZWAFUPLEL-UHFFFAOYSA-N
XLogP4.83
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene?
The IUPAC name of 11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene (CID 3033969) is 11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene.
What is the SMILES notation for 11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene?
The canonical SMILES for 11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene is C1=C2C(=Nc3ccc4ccccc4c32)c2ccccc21.
What is the InChIKey of 11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene?
The InChIKey is FHLNQZWAFUPLEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11N/c1-3-7-14-12(5-1)9-10-17-18(14)16-11-13-6-2-4-8-15(13)19(16)20-17/h1-11H.
What are the key properties of 11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene?
11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene has a molecular weight of 253.30 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 11-azapentacyclo[10.8.0.02,10.04,9.015,20]icosa-1(12),2,4,6,8,10,13,15,17,19-decaene is sourced from PubChem (CID 3033969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).