(3Z,5Z)-2,7-dihydro-1H-2-benzazonine

C12H13N — CID 145347760

IUPAC(3Z,5Z)-2,7-dihydro-1H-2-benzazonine
SMILESC1=C\Cc2ccccc2CN\C=C/1
InChIInChI=1S/C12H13N/c1-2-6-11-7-3-4-8-12(11)10-13-9-5-1/h1-5,7-9,13H,6,10H2/b2-1-,9-5-
InChIKeyKWQUEIXWCHCABV-HBRSPCJUSA-N
MW171.24 g/mol
LogP2.40
Rot. Bonds

About (3Z,5Z)-2,7-dihydro-1H-2-benzazonine

(3Z,5Z)-2,7-dihydro-1H-2-benzazonine (PubChem CID 145347760) has the molecular formula C12H13N and a molecular weight of 171.24 g/mol. Its IUPAC name is (3Z,5Z)-2,7-dihydro-1H-2-benzazonine.

Molecular Properties

Compound Name(3Z,5Z)-2,7-dihydro-1H-2-benzazonine
PubChem CID145347760
Molecular FormulaC12H13N
Molecular Weight171.24 g/mol
Exact Mass171.10
IUPAC Name(3Z,5Z)-2,7-dihydro-1H-2-benzazonine
SMILESC1=C\Cc2ccccc2CN\C=C/1
InChIInChI=1S/C12H13N/c1-2-6-11-7-3-4-8-12(11)10-13-9-5-1/h1-5,7-9,13H,6,10H2/b2-1-,9-5-
InChIKeyKWQUEIXWCHCABV-HBRSPCJUSA-N
XLogP2.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-2,7-dihydro-1H-2-benzazonine?
The IUPAC name of (3Z,5Z)-2,7-dihydro-1H-2-benzazonine (CID 145347760) is (3Z,5Z)-2,7-dihydro-1H-2-benzazonine.
What is the SMILES notation for (3Z,5Z)-2,7-dihydro-1H-2-benzazonine?
The canonical SMILES for (3Z,5Z)-2,7-dihydro-1H-2-benzazonine is C1=C\Cc2ccccc2CN\C=C/1.
What is the InChIKey of (3Z,5Z)-2,7-dihydro-1H-2-benzazonine?
The InChIKey is KWQUEIXWCHCABV-HBRSPCJUSA-N. The full InChI is InChI=1S/C12H13N/c1-2-6-11-7-3-4-8-12(11)10-13-9-5-1/h1-5,7-9,13H,6,10H2/b2-1-,9-5-.
What are the key properties of (3Z,5Z)-2,7-dihydro-1H-2-benzazonine?
(3Z,5Z)-2,7-dihydro-1H-2-benzazonine has a molecular weight of 171.24 g/mol, XLogP of 2.40, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-2,7-dihydro-1H-2-benzazonine is sourced from PubChem (CID 145347760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).