(9Z,14Z)-5,12-diazatricyclo[7.6.0.02,6]pentadeca-1,3,5,7,9,11,14-heptaene

C13H10N2 — CID 19816510

IUPAC(9Z,14Z)-5,12-diazatricyclo[7.6.0.02,6]pentadeca-1,3,5,7,9,11,14-heptaene
SMILESC1=Cc2c3/c(ccc2=N1)=C\C=N/C/C=C\3
InChIInChI=1S/C13H10N2/c1-2-11-10(5-8-14-7-1)3-4-13-12(11)6-9-15-13/h1-6,8-9H,7H2/b2-1-,10-5-,14-8-
InChIKeySNRWKBUZNZUXLM-XCFXNUHOSA-N
MW194.24 g/mol
LogP1.17
Rot. Bonds

About (9Z,14Z)-5,12-diazatricyclo[7.6.0.02,6]pentadeca-1,3,5,7,9,11,14-heptaene

(9Z,14Z)-5,12-diazatricyclo[7.6.0.02,6]pentadeca-1,3,5,7,9,11,14-heptaene (PubChem CID 19816510) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is (9Z,14Z)-5,12-diazatricyclo[7.6.0.02,6]pentadeca-1,3,5,7,9,11,14-heptaene.

Molecular Properties

Compound Name(9Z,14Z)-5,12-diazatricyclo[7.6.0.02,6]pentadeca-1,3,5,7,9,11,14-heptaene
PubChem CID19816510
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name(9Z,14Z)-5,12-diazatricyclo[7.6.0.02,6]pentadeca-1,3,5,7,9,11,14-heptaene
SMILESC1=Cc2c3/c(ccc2=N1)=C\C=N/C/C=C\3
InChIInChI=1S/C13H10N2/c1-2-11-10(5-8-14-7-1)3-4-13-12(11)6-9-15-13/h1-6,8-9H,7H2/b2-1-,10-5-,14-8-
InChIKeySNRWKBUZNZUXLM-XCFXNUHOSA-N
XLogP1.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 15960347
(1Z)-1-Benzazocine
CID 17846319
Pyrrolo[3,2-e]indole
CID 19433626
Benzazocine
CID 19879720
Pyrrolo[2,3-c]carbazole
CID 19960015
5H-Indole
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2H-1,4-Benzodiazepine
CID 21162934
Pyrrolo[2,3-f]indole
CID 21252022
Pyrrolo-[3,2-f]indole
CID 21252023
1h Pyrido[4,3 b]indole hydrochloride
CID 21499446

Frequently Asked Questions

What is the IUPAC name of (9Z,14Z)-5,12-diazatricyclo[7.6.0.02,6]pentadeca-1,3,5,7,9,11,14-heptaene?
The IUPAC name of (9Z,14Z)-5,12-diazatricyclo[7.6.0.02,6]pentadeca-1,3,5,7,9,11,14-heptaene (CID 19816510) is (9Z,14Z)-5,12-diazatricyclo[7.6.0.02,6]pentadeca-1,3,5,7,9,11,14-heptaene.
What is the SMILES notation for (9Z,14Z)-5,12-diazatricyclo[7.6.0.02,6]pentadeca-1,3,5,7,9,11,14-heptaene?
The canonical SMILES for (9Z,14Z)-5,12-diazatricyclo[7.6.0.02,6]pentadeca-1,3,5,7,9,11,14-heptaene is C1=Cc2c3/c(ccc2=N1)=C\C=N/C/C=C\3.
What is the InChIKey of (9Z,14Z)-5,12-diazatricyclo[7.6.0.02,6]pentadeca-1,3,5,7,9,11,14-heptaene?
The InChIKey is SNRWKBUZNZUXLM-XCFXNUHOSA-N. The full InChI is InChI=1S/C13H10N2/c1-2-11-10(5-8-14-7-1)3-4-13-12(11)6-9-15-13/h1-6,8-9H,7H2/b2-1-,10-5-,14-8-.
What are the key properties of (9Z,14Z)-5,12-diazatricyclo[7.6.0.02,6]pentadeca-1,3,5,7,9,11,14-heptaene?
(9Z,14Z)-5,12-diazatricyclo[7.6.0.02,6]pentadeca-1,3,5,7,9,11,14-heptaene has a molecular weight of 194.24 g/mol, XLogP of 1.17, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (9Z,14Z)-5,12-diazatricyclo[7.6.0.02,6]pentadeca-1,3,5,7,9,11,14-heptaene is sourced from PubChem (CID 19816510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).