benzyl-[(Z)-4-benzyliminopent-2-en-2-yl]azanide;propan-2-ol;zinc

C22H29N2OZn- — CID 162410091

IUPACbenzyl-[(Z)-4-benzyliminopent-2-en-2-yl]azanide;propan-2-ol;zinc
SMILESC/C(=C/C(C)=N\Cc1ccccc1)[N-]Cc1ccccc1.CC(C)O.[Zn]
InChIInChI=1S/C19H21N2.C3H8O.Zn/c1-16(20-14-18-9-5-3-6-10-18)13-17(2)21-15-19-11-7-4-8-12-19;1-3(2)4;/h3-13H,14-15H2,1-2H3;3-4H,1-2H3;/q-1;;/b16-13-,21-17-;;
InChIKeyFWRSJSXTBBHYLA-TVZGWBDISA-N
MW402.88 g/mol
LogP5.51
Rot. Bonds6

About benzyl-[(Z)-4-benzyliminopent-2-en-2-yl]azanide;propan-2-ol;zinc

benzyl-[(Z)-4-benzyliminopent-2-en-2-yl]azanide;propan-2-ol;zinc (PubChem CID 162410091) has the molecular formula C22H29N2OZn- and a molecular weight of 402.88 g/mol. Its IUPAC name is benzyl-[(Z)-4-benzyliminopent-2-en-2-yl]azanide;propan-2-ol;zinc.

Molecular Properties

Compound Namebenzyl-[(Z)-4-benzyliminopent-2-en-2-yl]azanide;propan-2-ol;zinc
PubChem CID162410091
Molecular FormulaC22H29N2OZn-
Molecular Weight402.88 g/mol
Exact Mass401.16
IUPAC Namebenzyl-[(Z)-4-benzyliminopent-2-en-2-yl]azanide;propan-2-ol;zinc
SMILESC/C(=C/C(C)=N\Cc1ccccc1)[N-]Cc1ccccc1.CC(C)O.[Zn]
InChIInChI=1S/C19H21N2.C3H8O.Zn/c1-16(20-14-18-9-5-3-6-10-18)13-17(2)21-15-19-11-7-4-8-12-19;1-3(2)4;/h3-13H,14-15H2,1-2H3;3-4H,1-2H3;/q-1;;/b16-13-,21-17-;;
InChIKeyFWRSJSXTBBHYLA-TVZGWBDISA-N
XLogP5.51
TPSA46.69 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.88
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of benzyl-[(Z)-4-benzyliminopent-2-en-2-yl]azanide;propan-2-ol;zinc?
The IUPAC name of benzyl-[(Z)-4-benzyliminopent-2-en-2-yl]azanide;propan-2-ol;zinc (CID 162410091) is benzyl-[(Z)-4-benzyliminopent-2-en-2-yl]azanide;propan-2-ol;zinc.
What is the SMILES notation for benzyl-[(Z)-4-benzyliminopent-2-en-2-yl]azanide;propan-2-ol;zinc?
The canonical SMILES for benzyl-[(Z)-4-benzyliminopent-2-en-2-yl]azanide;propan-2-ol;zinc is C/C(=C/C(C)=N\Cc1ccccc1)[N-]Cc1ccccc1.CC(C)O.[Zn].
What is the InChIKey of benzyl-[(Z)-4-benzyliminopent-2-en-2-yl]azanide;propan-2-ol;zinc?
The InChIKey is FWRSJSXTBBHYLA-TVZGWBDISA-N. The full InChI is InChI=1S/C19H21N2.C3H8O.Zn/c1-16(20-14-18-9-5-3-6-10-18)13-17(2)21-15-19-11-7-4-8-12-19;1-3(2)4;/h3-13H,14-15H2,1-2H3;3-4H,1-2H3;/q-1;;/b16-13-,21-17-;;.
What are the key properties of benzyl-[(Z)-4-benzyliminopent-2-en-2-yl]azanide;propan-2-ol;zinc?
benzyl-[(Z)-4-benzyliminopent-2-en-2-yl]azanide;propan-2-ol;zinc has a molecular weight of 402.88 g/mol, XLogP of 5.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl-[(Z)-4-benzyliminopent-2-en-2-yl]azanide;propan-2-ol;zinc is sourced from PubChem (CID 162410091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).