2-(16-oxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-11-yl)acetonitrile

C17H15NO — CID 130430224

IUPAC2-(16-oxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-11-yl)acetonitrile
SMILESN#CCC12CCCC1Oc1c2ccc2ccccc12
InChIInChI=1S/C17H15NO/c18-11-10-17-9-3-6-15(17)19-16-13-5-2-1-4-12(13)7-8-14(16)17/h1-2,4-5,7-8,15H,3,6,9-10H2
InChIKeyJMPNEYGBQHEBJP-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.94
Rot. Bonds1

About 2-(16-oxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-11-yl)acetonitrile

2-(16-oxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-11-yl)acetonitrile (PubChem CID 130430224) has the molecular formula C17H15NO and a molecular weight of 249.31 g/mol. Its IUPAC name is 2-(16-oxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-11-yl)acetonitrile.

Molecular Properties

Compound Name2-(16-oxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-11-yl)acetonitrile
PubChem CID130430224
Molecular FormulaC17H15NO
Molecular Weight249.31 g/mol
Exact Mass249.12
IUPAC Name2-(16-oxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-11-yl)acetonitrile
SMILESN#CCC12CCCC1Oc1c2ccc2ccccc12
InChIInChI=1S/C17H15NO/c18-11-10-17-9-3-6-15(17)19-16-13-5-2-1-4-12(13)7-8-14(16)17/h1-2,4-5,7-8,15H,3,6,9-10H2
InChIKeyJMPNEYGBQHEBJP-UHFFFAOYSA-N
XLogP3.94
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(16-oxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-11-yl)acetonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(16-oxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-11-yl)acetonitrile?
The IUPAC name of 2-(16-oxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-11-yl)acetonitrile (CID 130430224) is 2-(16-oxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-11-yl)acetonitrile.
What is the SMILES notation for 2-(16-oxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-11-yl)acetonitrile?
The canonical SMILES for 2-(16-oxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-11-yl)acetonitrile is N#CCC12CCCC1Oc1c2ccc2ccccc12.
What is the InChIKey of 2-(16-oxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-11-yl)acetonitrile?
The InChIKey is JMPNEYGBQHEBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO/c18-11-10-17-9-3-6-15(17)19-16-13-5-2-1-4-12(13)7-8-14(16)17/h1-2,4-5,7-8,15H,3,6,9-10H2.
What are the key properties of 2-(16-oxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-11-yl)acetonitrile?
2-(16-oxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-11-yl)acetonitrile has a molecular weight of 249.31 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(16-oxatetracyclo[8.6.0.02,7.011,15]hexadeca-1(10),2,4,6,8-pentaen-11-yl)acetonitrile is sourced from PubChem (CID 130430224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).