5,6-bis(ethenyl)-3-methyl-4H-diazepine

C10H12N2 — CID 143332746

IUPAC5,6-bis(ethenyl)-3-methyl-4H-diazepine
SMILESC=CC1=C(C=C)CC(C)=NN=C1
InChIInChI=1S/C10H12N2/c1-4-9-6-8(3)12-11-7-10(9)5-2/h4-5,7H,1-2,6H2,3H3
InChIKeyCPLJQVLKDKTCTP-UHFFFAOYSA-N
MW160.22 g/mol
LogP2.51
Rot. Bonds2

About 5,6-bis(ethenyl)-3-methyl-4H-diazepine

5,6-bis(ethenyl)-3-methyl-4H-diazepine (PubChem CID 143332746) has the molecular formula C10H12N2 and a molecular weight of 160.22 g/mol. Its IUPAC name is 5,6-bis(ethenyl)-3-methyl-4H-diazepine.

Molecular Properties

Compound Name5,6-bis(ethenyl)-3-methyl-4H-diazepine
PubChem CID143332746
Molecular FormulaC10H12N2
Molecular Weight160.22 g/mol
Exact Mass160.10
IUPAC Name5,6-bis(ethenyl)-3-methyl-4H-diazepine
SMILESC=CC1=C(C=C)CC(C)=NN=C1
InChIInChI=1S/C10H12N2/c1-4-9-6-8(3)12-11-7-10(9)5-2/h4-5,7H,1-2,6H2,3H3
InChIKeyCPLJQVLKDKTCTP-UHFFFAOYSA-N
XLogP2.51
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(ethenyl)-3-methyl-4H-diazepine?
The IUPAC name of 5,6-bis(ethenyl)-3-methyl-4H-diazepine (CID 143332746) is 5,6-bis(ethenyl)-3-methyl-4H-diazepine.
What is the SMILES notation for 5,6-bis(ethenyl)-3-methyl-4H-diazepine?
The canonical SMILES for 5,6-bis(ethenyl)-3-methyl-4H-diazepine is C=CC1=C(C=C)CC(C)=NN=C1.
What is the InChIKey of 5,6-bis(ethenyl)-3-methyl-4H-diazepine?
The InChIKey is CPLJQVLKDKTCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2/c1-4-9-6-8(3)12-11-7-10(9)5-2/h4-5,7H,1-2,6H2,3H3.
What are the key properties of 5,6-bis(ethenyl)-3-methyl-4H-diazepine?
5,6-bis(ethenyl)-3-methyl-4H-diazepine has a molecular weight of 160.22 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(ethenyl)-3-methyl-4H-diazepine is sourced from PubChem (CID 143332746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).