(2R)-2-[(Z)-2-phenylethenyl]azepane

C14H19N — CID 97289892

IUPAC(2R)-2-[(Z)-2-phenylethenyl]azepane
SMILESC(=C\[C@H]1CCCCCN1)\c1ccccc1
InChIInChI=1S/C14H19N/c1-3-7-13(8-4-1)10-11-14-9-5-2-6-12-15-14/h1,3-4,7-8,10-11,14-15H,2,5-6,9,12H2/b11-10-/t14-/m1/s1
InChIKeyDGEGHBUXYDGKJU-IWMPZKFUSA-N
MW201.31 g/mol
LogP3.23
Rot. Bonds2

About (2R)-2-[(Z)-2-phenylethenyl]azepane

(2R)-2-[(Z)-2-phenylethenyl]azepane (PubChem CID 97289892) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is (2R)-2-[(Z)-2-phenylethenyl]azepane.

Molecular Properties

Compound Name(2R)-2-[(Z)-2-phenylethenyl]azepane
PubChem CID97289892
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name(2R)-2-[(Z)-2-phenylethenyl]azepane
SMILESC(=C\[C@H]1CCCCCN1)\c1ccccc1
InChIInChI=1S/C14H19N/c1-3-7-13(8-4-1)10-11-14-9-5-2-6-12-15-14/h1,3-4,7-8,10-11,14-15H,2,5-6,9,12H2/b11-10-/t14-/m1/s1
InChIKeyDGEGHBUXYDGKJU-IWMPZKFUSA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-phenylethenyl)pyrrolidine
CID 3705120
2-[(E)-2-(4-fluorophenyl)ethenyl]piperidine;hydrochloride
CID 126844801
(2S,6R)-2-(2-phenylethenyl)-6-[(E)-2-phenylethenyl]piperidine
CID 69201329
2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane
CID 114239669
2-[(E)-2-(2-fluorophenyl)ethenyl]azocane
CID 114239682
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine
CID 113443116
2-[(E)-2-(2-fluorophenyl)ethenyl]piperidine;hydrochloride
CID 126844744
2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane
CID 104703913
2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine
CID 113443105
2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine
CID 45097432
2-[(E)-2-(2-methylphenyl)ethenyl]pyrrolidine
CID 104703767
2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine
CID 104703643

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(Z)-2-phenylethenyl]azepane?
The IUPAC name of (2R)-2-[(Z)-2-phenylethenyl]azepane (CID 97289892) is (2R)-2-[(Z)-2-phenylethenyl]azepane.
What is the SMILES notation for (2R)-2-[(Z)-2-phenylethenyl]azepane?
The canonical SMILES for (2R)-2-[(Z)-2-phenylethenyl]azepane is C(=C\[C@H]1CCCCCN1)\c1ccccc1.
What is the InChIKey of (2R)-2-[(Z)-2-phenylethenyl]azepane?
The InChIKey is DGEGHBUXYDGKJU-IWMPZKFUSA-N. The full InChI is InChI=1S/C14H19N/c1-3-7-13(8-4-1)10-11-14-9-5-2-6-12-15-14/h1,3-4,7-8,10-11,14-15H,2,5-6,9,12H2/b11-10-/t14-/m1/s1.
What are the key properties of (2R)-2-[(Z)-2-phenylethenyl]azepane?
(2R)-2-[(Z)-2-phenylethenyl]azepane has a molecular weight of 201.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(Z)-2-phenylethenyl]azepane is sourced from PubChem (CID 97289892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).