2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane

C15H21NO — CID 104703913

IUPAC2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane
SMILESCOc1ccccc1/C=C/C1CCCCCN1
InChIInChI=1S/C15H21NO/c1-17-15-9-5-4-7-13(15)10-11-14-8-3-2-6-12-16-14/h4-5,7,9-11,14,16H,2-3,6,8,12H2,1H3/b11-10+
InChIKeyBMZGWUSRZDJMCU-ZHACJKMWSA-N
MW231.34 g/mol
LogP3.24
Rot. Bonds3

About 2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane

2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane (PubChem CID 104703913) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane.

Molecular Properties

Compound Name2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane
PubChem CID104703913
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane
SMILESCOc1ccccc1/C=C/C1CCCCCN1
InChIInChI=1S/C15H21NO/c1-17-15-9-5-4-7-13(15)10-11-14-8-3-2-6-12-16-14/h4-5,7,9-11,14,16H,2-3,6,8,12H2,1H3/b11-10+
InChIKeyBMZGWUSRZDJMCU-ZHACJKMWSA-N
XLogP3.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride
CID 126844744
2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine
CID 104703767
(2R)-2-[(Z)-2-phenylethenyl]azepane
CID 97289892
2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine
CID 104703643
2-[(E)-2-(2,4-dimethylphenyl)ethenyl]piperidine
CID 104703670
2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine
CID 45097432
2-[(E)-2-(2,4-difluorophenyl)ethenyl]piperidine
CID 104703649
N-[2-(2-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanimine
CID 90457832
(2R)-2-[(E)-2-(2-methoxyphenyl)ethenyl]oxirane
CID 24806595
2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]pyrrolidine
CID 104703736
2-(2-phenylethenyl)pyrrolidine
CID 3705120
5-methoxy-4-phenylmethoxy-2-[(Z)-2-[(2S)-pyrrolidin-2-yl]ethenyl]benzoic acid
CID 126739940

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane?
The IUPAC name of 2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane (CID 104703913) is 2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane.
What is the SMILES notation for 2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane?
The canonical SMILES for 2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane is COc1ccccc1/C=C/C1CCCCCN1.
What is the InChIKey of 2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane?
The InChIKey is BMZGWUSRZDJMCU-ZHACJKMWSA-N. The full InChI is InChI=1S/C15H21NO/c1-17-15-9-5-4-7-13(15)10-11-14-8-3-2-6-12-16-14/h4-5,7,9-11,14,16H,2-3,6,8,12H2,1H3/b11-10+.
What are the key properties of 2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane?
2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane has a molecular weight of 231.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane is sourced from PubChem (CID 104703913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).