(6Z,12Z)-4a,5,10a,11-tetrahydrobenzo[c][1,5]benzodiazocine

C14H14N2 — CID 3081938

IUPAC(6Z,12Z)-4a,5,10a,11-tetrahydrobenzo[c][1,5]benzodiazocine
SMILESC1=C/C2=C/NC3C=CC=C/C3=C/NC2C=C1
InChIInChI=1S/C14H14N2/c1-3-7-13-11(5-1)9-15-14-8-4-2-6-12(14)10-16-13/h1-10,13-16H/b11-9-,12-10-
InChIKeyUPQUBYGCHXUYHB-HWAYABPNSA-N
MW210.28 g/mol
LogP1.94
Rot. Bonds

About (6Z,12Z)-4a,5,10a,11-tetrahydrobenzo[c][1,5]benzodiazocine

(6Z,12Z)-4a,5,10a,11-tetrahydrobenzo[c][1,5]benzodiazocine (PubChem CID 3081938) has the molecular formula C14H14N2 and a molecular weight of 210.28 g/mol. Its IUPAC name is (6Z,12Z)-4a,5,10a,11-tetrahydrobenzo[c][1,5]benzodiazocine.

Molecular Properties

Compound Name(6Z,12Z)-4a,5,10a,11-tetrahydrobenzo[c][1,5]benzodiazocine
PubChem CID3081938
Molecular FormulaC14H14N2
Molecular Weight210.28 g/mol
Exact Mass210.12
IUPAC Name(6Z,12Z)-4a,5,10a,11-tetrahydrobenzo[c][1,5]benzodiazocine
SMILESC1=C/C2=C/NC3C=CC=C/C3=C/NC2C=C1
InChIInChI=1S/C14H14N2/c1-3-7-13-11(5-1)9-15-14-8-4-2-6-12(14)10-16-13/h1-10,13-16H/b11-9-,12-10-
InChIKeyUPQUBYGCHXUYHB-HWAYABPNSA-N
XLogP1.94
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (6Z,12Z)-4a,5,10a,11-tetrahydrobenzo[c][1,5]benzodiazocine?
The IUPAC name of (6Z,12Z)-4a,5,10a,11-tetrahydrobenzo[c][1,5]benzodiazocine (CID 3081938) is (6Z,12Z)-4a,5,10a,11-tetrahydrobenzo[c][1,5]benzodiazocine.
What is the SMILES notation for (6Z,12Z)-4a,5,10a,11-tetrahydrobenzo[c][1,5]benzodiazocine?
The canonical SMILES for (6Z,12Z)-4a,5,10a,11-tetrahydrobenzo[c][1,5]benzodiazocine is C1=C/C2=C/NC3C=CC=C/C3=C/NC2C=C1.
What is the InChIKey of (6Z,12Z)-4a,5,10a,11-tetrahydrobenzo[c][1,5]benzodiazocine?
The InChIKey is UPQUBYGCHXUYHB-HWAYABPNSA-N. The full InChI is InChI=1S/C14H14N2/c1-3-7-13-11(5-1)9-15-14-8-4-2-6-12(14)10-16-13/h1-10,13-16H/b11-9-,12-10-.
What are the key properties of (6Z,12Z)-4a,5,10a,11-tetrahydrobenzo[c][1,5]benzodiazocine?
(6Z,12Z)-4a,5,10a,11-tetrahydrobenzo[c][1,5]benzodiazocine has a molecular weight of 210.28 g/mol, XLogP of 1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,12Z)-4a,5,10a,11-tetrahydrobenzo[c][1,5]benzodiazocine is sourced from PubChem (CID 3081938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).