azepin-2-imine

C6H6N2 — CID 18800810

IUPACazepin-2-imine
SMILES[H]/N=c1\cccccn1
InChIInChI=1S/C6H6N2/c7-6-4-2-1-3-5-8-6/h1-5,7H/b7-6+
InChIKeyFSNDJQZUTWNVID-VOTSOKGWSA-N
MW106.13 g/mol
LogP0.56
Rot. Bonds

About azepin-2-imine

azepin-2-imine (PubChem CID 18800810) has the molecular formula C6H6N2 and a molecular weight of 106.13 g/mol. Its IUPAC name is azepin-2-imine.

Molecular Properties

Compound Nameazepin-2-imine
PubChem CID18800810
Molecular FormulaC6H6N2
Molecular Weight106.13 g/mol
Exact Mass106.05
IUPAC Nameazepin-2-imine
SMILES[H]/N=c1\cccccn1
InChIInChI=1S/C6H6N2/c7-6-4-2-1-3-5-8-6/h1-5,7H/b7-6+
InChIKeyFSNDJQZUTWNVID-VOTSOKGWSA-N
XLogP0.56
TPSA36.74 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.13
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azepin-2-imine?
The IUPAC name of azepin-2-imine (CID 18800810) is azepin-2-imine.
What is the SMILES notation for azepin-2-imine?
The canonical SMILES for azepin-2-imine is [H]/N=c1\cccccn1.
What is the InChIKey of azepin-2-imine?
The InChIKey is FSNDJQZUTWNVID-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H6N2/c7-6-4-2-1-3-5-8-6/h1-5,7H/b7-6+.
What are the key properties of azepin-2-imine?
azepin-2-imine has a molecular weight of 106.13 g/mol, XLogP of 0.56, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azepin-2-imine is sourced from PubChem (CID 18800810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).