1-[(E)-3-phenylprop-2-enyl]azepane

C15H21N — CID 10867670

IUPAC1-[(E)-3-phenylprop-2-enyl]azepane
SMILESC(=C/c1ccccc1)\CN1CCCCCC1
InChIInChI=1S/C15H21N/c1-2-7-13-16(12-6-1)14-8-11-15-9-4-3-5-10-15/h3-5,8-11H,1-2,6-7,12-14H2/b11-8+
InChIKeyACLWQZLLZUBDMJ-DHZHZOJOSA-N
MW215.34 g/mol
LogP3.58
Rot. Bonds3

About 1-[(E)-3-phenylprop-2-enyl]azepane

1-[(E)-3-phenylprop-2-enyl]azepane (PubChem CID 10867670) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]azepane.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]azepane
PubChem CID10867670
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-[(E)-3-phenylprop-2-enyl]azepane
SMILESC(=C/c1ccccc1)\CN1CCCCCC1
InChIInChI=1S/C15H21N/c1-2-7-13-16(12-6-1)14-8-11-15-9-4-3-5-10-15/h3-5,8-11H,1-2,6-7,12-14H2/b11-8+
InChIKeyACLWQZLLZUBDMJ-DHZHZOJOSA-N
XLogP3.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-piperidin-1-ylprop-1-enyl)benzaldehyde
CID 54341299
1-(azepan-1-yl)-3-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]propan-1-one
CID 109030031
1-(2-chloroethyl)-4-(3-phenylprop-2-enyl)piperazine
CID 54353609
1-(2-chlorophenyl)-4-(3-phenylprop-2-enyl)piperazine
CID 757459
2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 43397283
(3R)-1-[(E)-3-phenylprop-2-enyl]piperidin-3-ol
CID 30981598
cyclobutyl-[4-(3-phenylprop-2-enyl)-1,4-diazepan-1-yl]methanone
CID 171335990
2-(3-piperidin-1-ylprop-1-enyl)phenol
CID 150024311
[1-(3-phenylprop-2-enyl)piperidin-4-yl]methanamine
CID 76923183
2-oxo-2-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]acetic acid
CID 12051420
2-[(E)-3-phenylprop-2-enyl]-2-azaspiro[3.3]heptane
CID 130375967
1-(3-phenylprop-2-enyl)imidazolidine
CID 161124295

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]azepane?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]azepane (CID 10867670) is 1-[(E)-3-phenylprop-2-enyl]azepane.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]azepane?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]azepane is C(=C/c1ccccc1)\CN1CCCCCC1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]azepane?
The InChIKey is ACLWQZLLZUBDMJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C15H21N/c1-2-7-13-16(12-6-1)14-8-11-15-9-4-3-5-10-15/h3-5,8-11H,1-2,6-7,12-14H2/b11-8+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]azepane?
1-[(E)-3-phenylprop-2-enyl]azepane has a molecular weight of 215.34 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]azepane is sourced from PubChem (CID 10867670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).