6-ethyl-2-methyl-4-methylideneazepine

C10H13N — CID 123661340

IUPAC6-ethyl-2-methyl-4-methylideneazepine
SMILESC=C1C=C(CC)C=NC(C)=C1
InChIInChI=1S/C10H13N/c1-4-10-6-8(2)5-9(3)11-7-10/h5-7H,2,4H2,1,3H3
InChIKeyCXSKZVPPKKISKN-UHFFFAOYSA-N
MW147.22 g/mol
LogP2.87
Rot. Bonds1

About 6-ethyl-2-methyl-4-methylideneazepine

6-ethyl-2-methyl-4-methylideneazepine (PubChem CID 123661340) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is 6-ethyl-2-methyl-4-methylideneazepine.

Molecular Properties

Compound Name6-ethyl-2-methyl-4-methylideneazepine
PubChem CID123661340
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name6-ethyl-2-methyl-4-methylideneazepine
SMILESC=C1C=C(CC)C=NC(C)=C1
InChIInChI=1S/C10H13N/c1-4-10-6-8(2)5-9(3)11-7-10/h5-7H,2,4H2,1,3H3
InChIKeyCXSKZVPPKKISKN-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-methyl-4-methylideneazepine?
The IUPAC name of 6-ethyl-2-methyl-4-methylideneazepine (CID 123661340) is 6-ethyl-2-methyl-4-methylideneazepine.
What is the SMILES notation for 6-ethyl-2-methyl-4-methylideneazepine?
The canonical SMILES for 6-ethyl-2-methyl-4-methylideneazepine is C=C1C=C(CC)C=NC(C)=C1.
What is the InChIKey of 6-ethyl-2-methyl-4-methylideneazepine?
The InChIKey is CXSKZVPPKKISKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N/c1-4-10-6-8(2)5-9(3)11-7-10/h5-7H,2,4H2,1,3H3.
What are the key properties of 6-ethyl-2-methyl-4-methylideneazepine?
6-ethyl-2-methyl-4-methylideneazepine has a molecular weight of 147.22 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-methyl-4-methylideneazepine is sourced from PubChem (CID 123661340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).