7-ethenyl-4,4-dimethylazepine

C10H13N — CID 126710450

IUPAC7-ethenyl-4,4-dimethylazepine
SMILESC=CC1=NC=CC(C)(C)C=C1
InChIInChI=1S/C10H13N/c1-4-9-5-6-10(2,3)7-8-11-9/h4-8H,1H2,2-3H3
InChIKeyXLCVRSPSKAMYGU-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.72
Rot. Bonds1

About 7-ethenyl-4,4-dimethylazepine

7-ethenyl-4,4-dimethylazepine (PubChem CID 126710450) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 7-ethenyl-4,4-dimethylazepine.

Molecular Properties

Compound Name7-ethenyl-4,4-dimethylazepine
PubChem CID126710450
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name7-ethenyl-4,4-dimethylazepine
SMILESC=CC1=NC=CC(C)(C)C=C1
InChIInChI=1S/C10H13N/c1-4-9-5-6-10(2,3)7-8-11-9/h4-8H,1H2,2-3H3
InChIKeyXLCVRSPSKAMYGU-UHFFFAOYSA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-ethenyl-4,4-dimethylazepine?
The IUPAC name of 7-ethenyl-4,4-dimethylazepine (CID 126710450) is 7-ethenyl-4,4-dimethylazepine.
What is the SMILES notation for 7-ethenyl-4,4-dimethylazepine?
The canonical SMILES for 7-ethenyl-4,4-dimethylazepine is C=CC1=NC=CC(C)(C)C=C1.
What is the InChIKey of 7-ethenyl-4,4-dimethylazepine?
The InChIKey is XLCVRSPSKAMYGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-4-9-5-6-10(2,3)7-8-11-9/h4-8H,1H2,2-3H3.
What are the key properties of 7-ethenyl-4,4-dimethylazepine?
7-ethenyl-4,4-dimethylazepine has a molecular weight of 147.22 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethenyl-4,4-dimethylazepine is sourced from PubChem (CID 126710450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).