[(E)-3-phenylprop-2-enyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

C19H22N+ — CID 7202031

IUPAC[(E)-3-phenylprop-2-enyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESC(=C/c1ccccc1)\C[NH2+][C@H]1CCCc2ccccc21
InChIInChI=1S/C19H21N/c1-2-8-16(9-3-1)10-7-15-20-19-14-6-12-17-11-4-5-13-18(17)19/h1-5,7-11,13,19-20H,6,12,14-15H2/p+1/b10-7+/t19-/m0/s1
InChIKeyFSJJBKZFODAUPN-VQFGERMISA-O
MW264.39 g/mol
LogP3.34
Rot. Bonds4

About [(E)-3-phenylprop-2-enyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium

[(E)-3-phenylprop-2-enyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (PubChem CID 7202031) has the molecular formula C19H22N+ and a molecular weight of 264.39 g/mol. Its IUPAC name is [(E)-3-phenylprop-2-enyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.

Molecular Properties

Compound Name[(E)-3-phenylprop-2-enyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
PubChem CID7202031
Molecular FormulaC19H22N+
Molecular Weight264.39 g/mol
Exact Mass264.17
IUPAC Name[(E)-3-phenylprop-2-enyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium
SMILESC(=C/c1ccccc1)\C[NH2+][C@H]1CCCc2ccccc21
InChIInChI=1S/C19H21N/c1-2-8-16(9-3-1)10-7-15-20-19-14-6-12-17-11-4-5-13-18(17)19/h1-5,7-11,13,19-20H,6,12,14-15H2/p+1/b10-7+/t19-/m0/s1
InChIKeyFSJJBKZFODAUPN-VQFGERMISA-O
XLogP3.34
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-phenylprop-2-enyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The IUPAC name of [(E)-3-phenylprop-2-enyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium (CID 7202031) is [(E)-3-phenylprop-2-enyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium.
What is the SMILES notation for [(E)-3-phenylprop-2-enyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The canonical SMILES for [(E)-3-phenylprop-2-enyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is C(=C/c1ccccc1)\C[NH2+][C@H]1CCCc2ccccc21.
What is the InChIKey of [(E)-3-phenylprop-2-enyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
The InChIKey is FSJJBKZFODAUPN-VQFGERMISA-O. The full InChI is InChI=1S/C19H21N/c1-2-8-16(9-3-1)10-7-15-20-19-14-6-12-17-11-4-5-13-18(17)19/h1-5,7-11,13,19-20H,6,12,14-15H2/p+1/b10-7+/t19-/m0/s1.
What are the key properties of [(E)-3-phenylprop-2-enyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium?
[(E)-3-phenylprop-2-enyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium has a molecular weight of 264.39 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-phenylprop-2-enyl]-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]azanium is sourced from PubChem (CID 7202031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).