2-ethylidene-3,7-dimethylazepine

C10H13N — CID 123303766

IUPAC2-ethylidene-3,7-dimethylazepine
SMILESCC=C1N=C(C)C=CC=C1C
InChIInChI=1S/C10H13N/c1-4-10-8(2)6-5-7-9(3)11-10/h4-7H,1-3H3
InChIKeyULZFZEZZRYLLFR-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.87
Rot. Bonds

About 2-ethylidene-3,7-dimethylazepine

2-ethylidene-3,7-dimethylazepine (PubChem CID 123303766) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 2-ethylidene-3,7-dimethylazepine.

Molecular Properties

Compound Name2-ethylidene-3,7-dimethylazepine
PubChem CID123303766
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name2-ethylidene-3,7-dimethylazepine
SMILESCC=C1N=C(C)C=CC=C1C
InChIInChI=1S/C10H13N/c1-4-10-8(2)6-5-7-9(3)11-10/h4-7H,1-3H3
InChIKeyULZFZEZZRYLLFR-UHFFFAOYSA-N
XLogP2.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethylidene-3,7-dimethylazepine?
The IUPAC name of 2-ethylidene-3,7-dimethylazepine (CID 123303766) is 2-ethylidene-3,7-dimethylazepine.
What is the SMILES notation for 2-ethylidene-3,7-dimethylazepine?
The canonical SMILES for 2-ethylidene-3,7-dimethylazepine is CC=C1N=C(C)C=CC=C1C.
What is the InChIKey of 2-ethylidene-3,7-dimethylazepine?
The InChIKey is ULZFZEZZRYLLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-4-10-8(2)6-5-7-9(3)11-10/h4-7H,1-3H3.
What are the key properties of 2-ethylidene-3,7-dimethylazepine?
2-ethylidene-3,7-dimethylazepine has a molecular weight of 147.22 g/mol, XLogP of 2.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylidene-3,7-dimethylazepine is sourced from PubChem (CID 123303766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).