3-propylidenediazepine

C8H10N2 — CID 69059164

IUPAC3-propylidenediazepine
SMILESCCC=C1C=CC=CN=N1
InChIInChI=1S/C8H10N2/c1-2-5-8-6-3-4-7-9-10-8/h3-7H,2H2,1H3
InChIKeyWMFFZMIIEUFCJM-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.82
Rot. Bonds1

About 3-propylidenediazepine

3-propylidenediazepine (PubChem CID 69059164) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 3-propylidenediazepine.

Molecular Properties

Compound Name3-propylidenediazepine
PubChem CID69059164
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name3-propylidenediazepine
SMILESCCC=C1C=CC=CN=N1
InChIInChI=1S/C8H10N2/c1-2-5-8-6-3-4-7-9-10-8/h3-7H,2H2,1H3
InChIKeyWMFFZMIIEUFCJM-UHFFFAOYSA-N
XLogP2.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-propylidenediazepine?
The IUPAC name of 3-propylidenediazepine (CID 69059164) is 3-propylidenediazepine.
What is the SMILES notation for 3-propylidenediazepine?
The canonical SMILES for 3-propylidenediazepine is CCC=C1C=CC=CN=N1.
What is the InChIKey of 3-propylidenediazepine?
The InChIKey is WMFFZMIIEUFCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-5-8-6-3-4-7-9-10-8/h3-7H,2H2,1H3.
What are the key properties of 3-propylidenediazepine?
3-propylidenediazepine has a molecular weight of 134.18 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylidenediazepine is sourced from PubChem (CID 69059164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).