8-methylidene-3,7-dihydropyrido[4,3-b]azepine

C10H10N2 — CID 129144955

IUPAC8-methylidene-3,7-dihydropyrido[4,3-b]azepine
SMILESC=C1C=C2N=CCC=CC2=CN1
InChIInChI=1S/C10H10N2/c1-8-6-10-9(7-12-8)4-2-3-5-11-10/h2,4-7,12H,1,3H2
InChIKeyLBENMODGUWZZOR-UHFFFAOYSA-N
MW158.20 g/mol
LogP1.90
Rot. Bonds

About 8-methylidene-3,7-dihydropyrido[4,3-b]azepine

8-methylidene-3,7-dihydropyrido[4,3-b]azepine (PubChem CID 129144955) has the molecular formula C10H10N2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 8-methylidene-3,7-dihydropyrido[4,3-b]azepine.

Molecular Properties

Compound Name8-methylidene-3,7-dihydropyrido[4,3-b]azepine
PubChem CID129144955
Molecular FormulaC10H10N2
Molecular Weight158.20 g/mol
Exact Mass158.08
IUPAC Name8-methylidene-3,7-dihydropyrido[4,3-b]azepine
SMILESC=C1C=C2N=CCC=CC2=CN1
InChIInChI=1S/C10H10N2/c1-8-6-10-9(7-12-8)4-2-3-5-11-10/h2,4-7,12H,1,3H2
InChIKeyLBENMODGUWZZOR-UHFFFAOYSA-N
XLogP1.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methylidene-3,7-dihydropyrido[4,3-b]azepine?
The IUPAC name of 8-methylidene-3,7-dihydropyrido[4,3-b]azepine (CID 129144955) is 8-methylidene-3,7-dihydropyrido[4,3-b]azepine.
What is the SMILES notation for 8-methylidene-3,7-dihydropyrido[4,3-b]azepine?
The canonical SMILES for 8-methylidene-3,7-dihydropyrido[4,3-b]azepine is C=C1C=C2N=CCC=CC2=CN1.
What is the InChIKey of 8-methylidene-3,7-dihydropyrido[4,3-b]azepine?
The InChIKey is LBENMODGUWZZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2/c1-8-6-10-9(7-12-8)4-2-3-5-11-10/h2,4-7,12H,1,3H2.
What are the key properties of 8-methylidene-3,7-dihydropyrido[4,3-b]azepine?
8-methylidene-3,7-dihydropyrido[4,3-b]azepine has a molecular weight of 158.20 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methylidene-3,7-dihydropyrido[4,3-b]azepine is sourced from PubChem (CID 129144955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).