[(Z)-3-(benzylamino)-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide

C23H19CrNO6 — CID 134867562

IUPAC[(Z)-3-(benzylamino)-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide
SMILESCCOC(=[Cr])/C=C(\NCc1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C18H19NO.5CO.Cr/c1-2-20-14-13-18(17-11-7-4-8-12-17)19-15-16-9-5-3-6-10-16;5*1-2;/h3-13,19H,2,15H2,1H3;;;;;;/b18-13-;;;;;;
InChIKeySRBKSBYDAYVNEN-WFXDEIRESA-N
MW457.40 g/mol
LogP3.34
Rot. Bonds7

About [(Z)-3-(benzylamino)-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide

[(Z)-3-(benzylamino)-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide (PubChem CID 134867562) has the molecular formula C23H19CrNO6 and a molecular weight of 457.40 g/mol. Its IUPAC name is [(Z)-3-(benzylamino)-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide.

Molecular Properties

Compound Name[(Z)-3-(benzylamino)-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide
PubChem CID134867562
Molecular FormulaC23H19CrNO6
Molecular Weight457.40 g/mol
Exact Mass457.06
IUPAC Name[(Z)-3-(benzylamino)-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide
SMILESCCOC(=[Cr])/C=C(\NCc1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]
InChIInChI=1S/C18H19NO.5CO.Cr/c1-2-20-14-13-18(17-11-7-4-8-12-17)19-15-16-9-5-3-6-10-16;5*1-2;/h3-13,19H,2,15H2,1H3;;;;;;/b18-13-;;;;;;
InChIKeySRBKSBYDAYVNEN-WFXDEIRESA-N
XLogP3.34
TPSA120.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

(z)-Ethyl 3-(benzylamino)but-2-enoate
CID 11117536
Ethyl 3-benzylamino-2-butenoate
CID 563425
Ethyl 3-(benzylamino)but-2-enoate
CID 5368598
carbon monoxide;[(Z)-3-(dibenzylamino)-1,4-diethoxy-4-methylpent-2-enylidene]chromium
CID 11114401
[(Z)-3-amino-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide
CID 11783526
carbon monoxide;[(E)-1-ethoxy-3-phenyl-3-pyrrolidin-1-ylprop-2-enylidene]chromium
CID 135004183
ethyl (Z)-3-(benzylamino)-3-phenylprop-2-enoate
CID 10755278
methyl (E)-3-(benzylamino)-3-phenylprop-2-enoate
CID 44513300
Ethyl 3-(benzylamino)-3-phenylprop-2-enoate
CID 71354281
(1E,3E)-N-ethenyl-2-(1-ethoxyethenyl)-5-(4-fluorophenyl)-4-methyl-1-phenylpenta-1,3-dien-1-amine
CID 129100578
methyl (Z)-3-(benzylamino)-3-phenylprop-2-enoate
CID 51031865
ethyl (E,4R)-4-(benzylamino)-4-phenylbut-2-enoate
CID 102443653

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-(benzylamino)-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide?
The IUPAC name of [(Z)-3-(benzylamino)-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide (CID 134867562) is [(Z)-3-(benzylamino)-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide.
What is the SMILES notation for [(Z)-3-(benzylamino)-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide?
The canonical SMILES for [(Z)-3-(benzylamino)-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide is CCOC(=[Cr])/C=C(\NCc1ccccc1)c1ccccc1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].
What is the InChIKey of [(Z)-3-(benzylamino)-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide?
The InChIKey is SRBKSBYDAYVNEN-WFXDEIRESA-N. The full InChI is InChI=1S/C18H19NO.5CO.Cr/c1-2-20-14-13-18(17-11-7-4-8-12-17)19-15-16-9-5-3-6-10-16;5*1-2;/h3-13,19H,2,15H2,1H3;;;;;;/b18-13-;;;;;;.
What are the key properties of [(Z)-3-(benzylamino)-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide?
[(Z)-3-(benzylamino)-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide has a molecular weight of 457.40 g/mol, XLogP of 3.34, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(benzylamino)-1-ethoxy-3-phenylprop-2-enylidene]chromium;carbon monoxide is sourced from PubChem (CID 134867562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).