7-chloro-3-ethenyl-4H-diazepine

C7H7ClN2 — CID 129313926

IUPAC7-chloro-3-ethenyl-4H-diazepine
SMILESC=CC1=NN=C(Cl)C=CC1
InChIInChI=1S/C7H7ClN2/c1-2-6-4-3-5-7(8)10-9-6/h2-3,5H,1,4H2
InChIKeyQTZROLOMSXQZNA-UHFFFAOYSA-N
MW154.60 g/mol
LogP2.13
Rot. Bonds1

About 7-chloro-3-ethenyl-4H-diazepine

7-chloro-3-ethenyl-4H-diazepine (PubChem CID 129313926) has the molecular formula C7H7ClN2 and a molecular weight of 154.60 g/mol. Its IUPAC name is 7-chloro-3-ethenyl-4H-diazepine.

Molecular Properties

Compound Name7-chloro-3-ethenyl-4H-diazepine
PubChem CID129313926
Molecular FormulaC7H7ClN2
Molecular Weight154.60 g/mol
Exact Mass154.03
IUPAC Name7-chloro-3-ethenyl-4H-diazepine
SMILESC=CC1=NN=C(Cl)C=CC1
InChIInChI=1S/C7H7ClN2/c1-2-6-4-3-5-7(8)10-9-6/h2-3,5H,1,4H2
InChIKeyQTZROLOMSXQZNA-UHFFFAOYSA-N
XLogP2.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.60
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-ethenyl-4H-diazepine?
The IUPAC name of 7-chloro-3-ethenyl-4H-diazepine (CID 129313926) is 7-chloro-3-ethenyl-4H-diazepine.
What is the SMILES notation for 7-chloro-3-ethenyl-4H-diazepine?
The canonical SMILES for 7-chloro-3-ethenyl-4H-diazepine is C=CC1=NN=C(Cl)C=CC1.
What is the InChIKey of 7-chloro-3-ethenyl-4H-diazepine?
The InChIKey is QTZROLOMSXQZNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2/c1-2-6-4-3-5-7(8)10-9-6/h2-3,5H,1,4H2.
What are the key properties of 7-chloro-3-ethenyl-4H-diazepine?
7-chloro-3-ethenyl-4H-diazepine has a molecular weight of 154.60 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-ethenyl-4H-diazepine is sourced from PubChem (CID 129313926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).