2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)acetonitrile

C15H15N3 — CID 117347244

IUPAC2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)acetonitrile
SMILESN#CCc1cccc2c3c([nH]c12)N1CCC3CC1
InChIInChI=1S/C15H15N3/c16-7-4-11-2-1-3-12-13-10-5-8-18(9-6-10)15(13)17-14(11)12/h1-3,10,17H,4-6,8-9H2
InChIKeyFPXBWXNUDNMHNF-UHFFFAOYSA-N
MW237.31 g/mol
LogP2.93
Rot. Bonds1

About 2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)acetonitrile

2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)acetonitrile (PubChem CID 117347244) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)acetonitrile.

Molecular Properties

Compound Name2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)acetonitrile
PubChem CID117347244
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)acetonitrile
SMILESN#CCc1cccc2c3c([nH]c12)N1CCC3CC1
InChIInChI=1S/C15H15N3/c16-7-4-11-2-1-3-12-13-10-5-8-18(9-6-10)15(13)17-14(11)12/h1-3,10,17H,4-6,8-9H2
InChIKeyFPXBWXNUDNMHNF-UHFFFAOYSA-N
XLogP2.93
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)acetonitrile?
The IUPAC name of 2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)acetonitrile (CID 117347244) is 2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)acetonitrile.
What is the SMILES notation for 2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)acetonitrile?
The canonical SMILES for 2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)acetonitrile is N#CCc1cccc2c3c([nH]c12)N1CCC3CC1.
What is the InChIKey of 2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)acetonitrile?
The InChIKey is FPXBWXNUDNMHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c16-7-4-11-2-1-3-12-13-10-5-8-18(9-6-10)15(13)17-14(11)12/h1-3,10,17H,4-6,8-9H2.
What are the key properties of 2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)acetonitrile?
2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)acetonitrile has a molecular weight of 237.31 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9,11-diazatetracyclo[9.2.2.02,10.03,8]pentadeca-2(10),3,5,7-tetraen-7-yl)acetonitrile is sourced from PubChem (CID 117347244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).