azane;1H-azepine

C6H10N2 — CID 21395141

IUPACazane;1H-azepine
SMILESC1=CC=CNC=C1.N
InChIInChI=1S/C6H7N.H3N/c1-2-4-6-7-5-3-1;/h1-7H;1H3
InChIKeyMTVOAGIJGPWRNT-UHFFFAOYSA-N
MW110.16 g/mol
LogP1.34
Rot. Bonds

About azane;1H-azepine

azane;1H-azepine (PubChem CID 21395141) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is azane;1H-azepine.

Molecular Properties

Compound Nameazane;1H-azepine
PubChem CID21395141
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC Nameazane;1H-azepine
SMILESC1=CC=CNC=C1.N
InChIInChI=1S/C6H7N.H3N/c1-2-4-6-7-5-3-1;/h1-7H;1H3
InChIKeyMTVOAGIJGPWRNT-UHFFFAOYSA-N
XLogP1.34
TPSA47.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of azane;1H-azepine?
The IUPAC name of azane;1H-azepine (CID 21395141) is azane;1H-azepine.
What is the SMILES notation for azane;1H-azepine?
The canonical SMILES for azane;1H-azepine is C1=CC=CNC=C1.N.
What is the InChIKey of azane;1H-azepine?
The InChIKey is MTVOAGIJGPWRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N.H3N/c1-2-4-6-7-5-3-1;/h1-7H;1H3.
What are the key properties of azane;1H-azepine?
azane;1H-azepine has a molecular weight of 110.16 g/mol, XLogP of 1.34, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1H-azepine is sourced from PubChem (CID 21395141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).