7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydroazepine

C14H19N — CID 87166546

IUPAC7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydroazepine
SMILESCN1CCC=CC=C1C1=CC=CCCC1
InChIInChI=1S/C14H19N/c1-15-12-8-4-7-11-14(15)13-9-5-2-3-6-10-13/h2,4-5,7,9,11H,3,6,8,10,12H2,1H3
InChIKeyAMCLRSGUJXTWRL-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.43
Rot. Bonds1

About 7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydroazepine

7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydroazepine (PubChem CID 87166546) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydroazepine.

Molecular Properties

Compound Name7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydroazepine
PubChem CID87166546
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydroazepine
SMILESCN1CCC=CC=C1C1=CC=CCCC1
InChIInChI=1S/C14H19N/c1-15-12-8-4-7-11-14(15)13-9-5-2-3-6-10-13/h2,4-5,7,9,11H,3,6,8,10,12H2,1H3
InChIKeyAMCLRSGUJXTWRL-UHFFFAOYSA-N
XLogP3.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydroazepine?
The IUPAC name of 7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydroazepine (CID 87166546) is 7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydroazepine.
What is the SMILES notation for 7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydroazepine?
The canonical SMILES for 7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydroazepine is CN1CCC=CC=C1C1=CC=CCCC1.
What is the InChIKey of 7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydroazepine?
The InChIKey is AMCLRSGUJXTWRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-15-12-8-4-7-11-14(15)13-9-5-2-3-6-10-13/h2,4-5,7,9,11H,3,6,8,10,12H2,1H3.
What are the key properties of 7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydroazepine?
7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydroazepine has a molecular weight of 201.31 g/mol, XLogP of 3.43, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohepta-1,3-dien-1-yl-1-methyl-2,3-dihydroazepine is sourced from PubChem (CID 87166546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).