14-oxa-16-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene

C14H9NO — CID 155282228

IUPAC14-oxa-16-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene
SMILESc1ccc2cc3c(cc2c1)[nH]c1occc13
InChIInChI=1S/C14H9NO/c1-2-4-10-8-13-12(7-9(10)3-1)11-5-6-16-14(11)15-13/h1-8,15H
InChIKeyLNEJNEHLMWRQET-UHFFFAOYSA-N
MW207.23 g/mol
LogP4.07
Rot. Bonds

About 14-oxa-16-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene

14-oxa-16-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene (PubChem CID 155282228) has the molecular formula C14H9NO and a molecular weight of 207.23 g/mol. Its IUPAC name is 14-oxa-16-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene.

Molecular Properties

Compound Name14-oxa-16-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene
PubChem CID155282228
Molecular FormulaC14H9NO
Molecular Weight207.23 g/mol
Exact Mass207.07
IUPAC Name14-oxa-16-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene
SMILESc1ccc2cc3c(cc2c1)[nH]c1occc13
InChIInChI=1S/C14H9NO/c1-2-4-10-8-13-12(7-9(10)3-1)11-5-6-16-14(11)15-13/h1-8,15H
InChIKeyLNEJNEHLMWRQET-UHFFFAOYSA-N
XLogP4.07
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 14-oxa-16-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene with MolForge

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Related Compounds

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CID 134178969
4,15,21,32-tetrazaoctacyclo[16.16.0.03,16.05,14.07,12.020,33.022,31.024,29]tetratriaconta-1,3(16),5,7,9,11,13,17,19,22,24,26,28,30,33-pentadecaene
CID 132514224
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13-azaheptacyclo[13.10.2.02,14.03,12.05,10.019,27.022,26]heptacosa-1(25),2(14),3,5,7,9,11,15,17,19(27),20,22(26),23-tridecaene
CID 122489101
11-thia-28-azaheptacyclo[15.11.0.03,15.04,12.05,10.018,27.020,25]octacosa-1(17),2,4(12),5,7,9,13,15,18,20,22,24,26-tridecaene
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Frequently Asked Questions

What is the IUPAC name of 14-oxa-16-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene?
The IUPAC name of 14-oxa-16-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene (CID 155282228) is 14-oxa-16-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene.
What is the SMILES notation for 14-oxa-16-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene?
The canonical SMILES for 14-oxa-16-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene is c1ccc2cc3c(cc2c1)[nH]c1occc13.
What is the InChIKey of 14-oxa-16-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene?
The InChIKey is LNEJNEHLMWRQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO/c1-2-4-10-8-13-12(7-9(10)3-1)11-5-6-16-14(11)15-13/h1-8,15H.
What are the key properties of 14-oxa-16-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene?
14-oxa-16-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene has a molecular weight of 207.23 g/mol, XLogP of 4.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxa-16-azatetracyclo[8.6.0.03,8.011,15]hexadeca-1,3,5,7,9,11(15),12-heptaene is sourced from PubChem (CID 155282228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).