CID 10914573

C19H19FeNO+2 — CID 10914573

IUPAC—
SMILESOC[C@H](/N=C/[C]1[CH][CH][CH][CH]1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C14H14NO.C5H5.Fe/c16-11-14(13-8-2-1-3-9-13)15-10-12-6-4-5-7-12;1-2-4-5-3-1;/h1-10,14,16H,11H2;1-5H;/q;;+2/b15-10+;;/t14-;;/m0../s1
InChIKeyVMVMPWJSJBKFAB-LJPHYENNSA-N
MW333.21 g/mol
LogP3.21
Rot. Bonds4

About CID 10914573

CID 10914573 (PubChem CID 10914573) has the molecular formula C19H19FeNO+2 and a molecular weight of 333.21 g/mol.

Molecular Properties

Compound NameCID 10914573
PubChem CID10914573
Molecular FormulaC19H19FeNO+2
Molecular Weight333.21 g/mol
Exact Mass333.08
IUPAC Name—
SMILESOC[C@H](/N=C/[C]1[CH][CH][CH][CH]1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2]
InChIInChI=1S/C14H14NO.C5H5.Fe/c16-11-14(13-8-2-1-3-9-13)15-10-12-6-4-5-7-12;1-2-4-5-3-1;/h1-10,14,16H,11H2;1-5H;/q;;+2/b15-10+;;/t14-;;/m0../s1
InChIKeyVMVMPWJSJBKFAB-LJPHYENNSA-N
XLogP3.21
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 53.21
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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Related Compounds

CID 11290967
CID 11290967
CID 46222276
CID 46222276
2-[[6-[(2-hydroxy-1-phenylethyl)iminomethyl]-2-pyridinyl]methylideneamino]-2-phenylethanol
CID 4086151
(2R)-2-[(4-chlorophenyl)methylideneamino]-2-phenylethanol
CID 11253959
2,6-bis[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4-methylphenol
CID 136883517
2-[(2-hydroxy-1-phenylethyl)iminomethyl]pyridin-3-ol
CID 137254256
1-[(2-hydroxy-1-phenylethyl)iminomethyl]naphthalen-2-ol
CID 136843980
2-(1-adamantylmethylideneamino)-2-phenylethanol
CID 91597147
(2R)-2-[(4-bromo-5-methylfuran-2-yl)methylideneamino]-2-phenylethanol
CID 59664764
(2S)-2-[[5-[5-[[6-[[(1S)-2-hydroxy-1-phenylethyl]iminomethyl]-3-pyridinyl]oxy]pentoxy]-2-pyridinyl]methylideneamino]-2-phenylethanol
CID 53491370
CID 135424866
CID 135424866
2-[[(1R)-2-hydroxy-1-phenylethyl]iminomethyl]-4,6-bis(2-phenylpropan-2-yl)phenol
CID 136760092

Frequently Asked Questions

What is the IUPAC name of CID 10914573?
The IUPAC name of CID 10914573 (CID 10914573) is not available.
What is the SMILES notation for CID 10914573?
The canonical SMILES for CID 10914573 is OC[C@H](/N=C/[C]1[CH][CH][CH][CH]1)c1ccccc1.[CH]1[CH][CH][CH][CH]1.[Fe+2].
What is the InChIKey of CID 10914573?
The InChIKey is VMVMPWJSJBKFAB-LJPHYENNSA-N. The full InChI is InChI=1S/C14H14NO.C5H5.Fe/c16-11-14(13-8-2-1-3-9-13)15-10-12-6-4-5-7-12;1-2-4-5-3-1;/h1-10,14,16H,11H2;1-5H;/q;;+2/b15-10+;;/t14-;;/m0../s1.
What are the key properties of CID 10914573?
CID 10914573 has a molecular weight of 333.21 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 10914573 is sourced from PubChem (CID 10914573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).