2-methylideneazepine

C7H7N — CID 91214384

IUPAC2-methylideneazepine
SMILESC=C1C=CC=CC=N1
InChIInChI=1S/C7H7N/c1-7-5-3-2-4-6-8-7/h2-6H,1H2
InChIKeyXZCZRNZQURCKRQ-UHFFFAOYSA-N
MW105.14 g/mol
LogP1.70
Rot. Bonds

About 2-methylideneazepine

2-methylideneazepine (PubChem CID 91214384) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is 2-methylideneazepine.

Molecular Properties

Compound Name2-methylideneazepine
PubChem CID91214384
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Name2-methylideneazepine
SMILESC=C1C=CC=CC=N1
InChIInChI=1S/C7H7N/c1-7-5-3-2-4-6-8-7/h2-6H,1H2
InChIKeyXZCZRNZQURCKRQ-UHFFFAOYSA-N
XLogP1.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylideneazepine?
The IUPAC name of 2-methylideneazepine (CID 91214384) is 2-methylideneazepine.
What is the SMILES notation for 2-methylideneazepine?
The canonical SMILES for 2-methylideneazepine is C=C1C=CC=CC=N1.
What is the InChIKey of 2-methylideneazepine?
The InChIKey is XZCZRNZQURCKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N/c1-7-5-3-2-4-6-8-7/h2-6H,1H2.
What are the key properties of 2-methylideneazepine?
2-methylideneazepine has a molecular weight of 105.14 g/mol, XLogP of 1.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylideneazepine is sourced from PubChem (CID 91214384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).