2,4-dimethyl-6-methylidene-2,3-dihydroazepine

C9H13N — CID 91409582

IUPAC2,4-dimethyl-6-methylidene-2,3-dihydroazepine
SMILESC=C1C=NC(C)CC(C)=C1
InChIInChI=1S/C9H13N/c1-7-4-8(2)6-10-9(3)5-7/h4,6,9H,2,5H2,1,3H3
InChIKeyOCCCZTKZUBZADF-UHFFFAOYSA-N
MW135.21 g/mol
LogP2.35
Rot. Bonds

About 2,4-dimethyl-6-methylidene-2,3-dihydroazepine

2,4-dimethyl-6-methylidene-2,3-dihydroazepine (PubChem CID 91409582) has the molecular formula C9H13N and a molecular weight of 135.21 g/mol. Its IUPAC name is 2,4-dimethyl-6-methylidene-2,3-dihydroazepine.

Molecular Properties

Compound Name2,4-dimethyl-6-methylidene-2,3-dihydroazepine
PubChem CID91409582
Molecular FormulaC9H13N
Molecular Weight135.21 g/mol
Exact Mass135.10
IUPAC Name2,4-dimethyl-6-methylidene-2,3-dihydroazepine
SMILESC=C1C=NC(C)CC(C)=C1
InChIInChI=1S/C9H13N/c1-7-4-8(2)6-10-9(3)5-7/h4,6,9H,2,5H2,1,3H3
InChIKeyOCCCZTKZUBZADF-UHFFFAOYSA-N
XLogP2.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.21
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-methylidene-2,3-dihydroazepine?
The IUPAC name of 2,4-dimethyl-6-methylidene-2,3-dihydroazepine (CID 91409582) is 2,4-dimethyl-6-methylidene-2,3-dihydroazepine.
What is the SMILES notation for 2,4-dimethyl-6-methylidene-2,3-dihydroazepine?
The canonical SMILES for 2,4-dimethyl-6-methylidene-2,3-dihydroazepine is C=C1C=NC(C)CC(C)=C1.
What is the InChIKey of 2,4-dimethyl-6-methylidene-2,3-dihydroazepine?
The InChIKey is OCCCZTKZUBZADF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N/c1-7-4-8(2)6-10-9(3)5-7/h4,6,9H,2,5H2,1,3H3.
What are the key properties of 2,4-dimethyl-6-methylidene-2,3-dihydroazepine?
2,4-dimethyl-6-methylidene-2,3-dihydroazepine has a molecular weight of 135.21 g/mol, XLogP of 2.35, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-methylidene-2,3-dihydroazepine is sourced from PubChem (CID 91409582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).