8-oxa-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene

C14H11NO — CID 172994149

IUPAC8-oxa-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene
SMILESc1ccc2c(c1)cc[nH]oc1ccccc12
InChIInChI=1S/C14H11NO/c1-2-6-12-11(5-1)9-10-15-16-14-8-4-3-7-13(12)14/h1-10,15H/b10-9-
InChIKeyFQPGKXRBCQASLU-KTKRTIGZSA-N
MW209.25 g/mol
LogP4.04
Rot. Bonds

About 8-oxa-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene

8-oxa-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene (PubChem CID 172994149) has the molecular formula C14H11NO and a molecular weight of 209.25 g/mol. Its IUPAC name is 8-oxa-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene.

Molecular Properties

Compound Name8-oxa-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene
PubChem CID172994149
Molecular FormulaC14H11NO
Molecular Weight209.25 g/mol
Exact Mass209.08
IUPAC Name8-oxa-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene
SMILESc1ccc2c(c1)cc[nH]oc1ccccc12
InChIInChI=1S/C14H11NO/c1-2-6-12-11(5-1)9-10-15-16-14-8-4-3-7-13(12)14/h1-10,15H/b10-9-
InChIKeyFQPGKXRBCQASLU-KTKRTIGZSA-N
XLogP4.04
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 8-oxa-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene with MolForge

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Related Compounds

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Dibenzooxazonine-13-carboxamide
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Benzoxazocine hydrochloride
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8,9-Dioxa-10-azatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,11,13,15,17-octaene
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methyl 2H-1,2-benzoxazocine-7-carboxylate
CID 141000151
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CID 141000178

Frequently Asked Questions

What is the IUPAC name of 8-oxa-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene?
The IUPAC name of 8-oxa-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene (CID 172994149) is 8-oxa-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene.
What is the SMILES notation for 8-oxa-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene?
The canonical SMILES for 8-oxa-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene is c1ccc2c(c1)cc[nH]oc1ccccc12.
What is the InChIKey of 8-oxa-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene?
The InChIKey is FQPGKXRBCQASLU-KTKRTIGZSA-N. The full InChI is InChI=1S/C14H11NO/c1-2-6-12-11(5-1)9-10-15-16-14-8-4-3-7-13(12)14/h1-10,15H/b10-9-.
What are the key properties of 8-oxa-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene?
8-oxa-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene has a molecular weight of 209.25 g/mol, XLogP of 4.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxa-9-azatricyclo[10.4.0.02,7]hexadeca-1(16),2,4,6,10,12,14-heptaene is sourced from PubChem (CID 172994149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).