CID 90475735

C14H16FeN2O2 — CID 90475735

IUPAC—
SMILESCNC(=O)O/N=C(\C)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe]
InChIInChI=1S/C9H11N2O2.C5H5.Fe/c1-7(8-5-3-4-6-8)11-13-9(12)10-2;1-2-4-5-3-1;/h3-6H,1-2H3,(H,10,12);1-5H;/b11-7+;;
InChIKeyFWUBMABJGPXSAE-FCVAESPPSA-N
MW300.14 g/mol
LogP2.14
Rot. Bonds2

About CID 90475735

CID 90475735 (PubChem CID 90475735) has the molecular formula C14H16FeN2O2 and a molecular weight of 300.14 g/mol.

Molecular Properties

Compound NameCID 90475735
PubChem CID90475735
Molecular FormulaC14H16FeN2O2
Molecular Weight300.14 g/mol
Exact Mass300.06
IUPAC Name—
SMILESCNC(=O)O/N=C(\C)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe]
InChIInChI=1S/C9H11N2O2.C5H5.Fe/c1-7(8-5-3-4-6-8)11-13-9(12)10-2;1-2-4-5-3-1;/h3-6H,1-2H3,(H,10,12);1-5H;/b11-7+;;
InChIKeyFWUBMABJGPXSAE-FCVAESPPSA-N
XLogP2.14
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.14
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethane;[(Z)-1-phenylethylideneamino] N-methylcarbamate
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methyl N-(methylcarbamoyloxy)ethanimidothioate
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ethyl N-(methylcarbamoyloxy)ethanimidothioate
CID 29861
[(Z)-[2,2,2-trifluoro-1-(4-methoxyphenyl)ethylidene]amino] N-methylcarbamate
CID 134121037
[(Z)-[(3R)-3-[(R)-methylsulfinyl]butan-2-ylidene]amino] N-methylcarbamate
CID 92843730
[(Z)-[chloro-(5-methylthiophen-2-yl)methylidene]amino] N-methylcarbamate
CID 134087148
[(3-methyl-3-nitrobutan-2-ylidene)amino] N-methylcarbamate
CID 30150
methyl N-(methylcarbamoyloxy)butanimidate
CID 173461577
[(1-ethylsulfinyl-3-methylbutylidene)amino] N-methylcarbamate
CID 173461705
[[3-[(4-chlorophenyl)carbamoylamino]-3-methylbutan-2-ylidene]amino] N-methylcarbamate
CID 4888711
[(E)-1-phenylethylideneamino] N-ethylcarbamate
CID 121217910
[(E)-[ethyl(methyl)-λ4-sulfanylidene]amino] N-methylcarbamate
CID 11435132

Frequently Asked Questions

What is the IUPAC name of CID 90475735?
The IUPAC name of CID 90475735 (CID 90475735) is not available.
What is the SMILES notation for CID 90475735?
The canonical SMILES for CID 90475735 is CNC(=O)O/N=C(\C)[C]1[CH][CH][CH][CH]1.[CH]1[CH][CH][CH][CH]1.[Fe].
What is the InChIKey of CID 90475735?
The InChIKey is FWUBMABJGPXSAE-FCVAESPPSA-N. The full InChI is InChI=1S/C9H11N2O2.C5H5.Fe/c1-7(8-5-3-4-6-8)11-13-9(12)10-2;1-2-4-5-3-1;/h3-6H,1-2H3,(H,10,12);1-5H;/b11-7+;;.
What are the key properties of CID 90475735?
CID 90475735 has a molecular weight of 300.14 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90475735 is sourced from PubChem (CID 90475735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).