(benzhydrylideneamino) hydrogen carbonate

C14H11NO3 — CID 91323284

IUPAC(benzhydrylideneamino) hydrogen carbonate
SMILESO=C(O)ON=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11NO3/c16-14(17)18-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,16,17)
InChIKeyCIFOVYWDSFKXIN-UHFFFAOYSA-N
MW241.25 g/mol
LogP3.13
Rot. Bonds3

About (benzhydrylideneamino) hydrogen carbonate

(benzhydrylideneamino) hydrogen carbonate (PubChem CID 91323284) has the molecular formula C14H11NO3 and a molecular weight of 241.25 g/mol. Its IUPAC name is (benzhydrylideneamino) hydrogen carbonate.

Molecular Properties

Compound Name(benzhydrylideneamino) hydrogen carbonate
PubChem CID91323284
Molecular FormulaC14H11NO3
Molecular Weight241.25 g/mol
Exact Mass241.07
IUPAC Name(benzhydrylideneamino) hydrogen carbonate
SMILESO=C(O)ON=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H11NO3/c16-14(17)18-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,16,17)
InChIKeyCIFOVYWDSFKXIN-UHFFFAOYSA-N
XLogP3.13
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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

[[phenyl(pyridin-4-yl)methylidene]amino] benzoate
CID 3506400
(benzhydrylideneamino) 3-phenylpropanoate
CID 91344070
(benzhydrylideneamino) 2-cyclopentylidene-2-phenylacetate
CID 87824963
(benzhydrylideneamino) pyrazine-2-carboxylate
CID 13331734
1-O-(benzhydrylideneamino) 4-O-[(E)-[phenyl(pyridin-2-yl)methylidene]amino] butanedioate
CID 59685826
N-ethenoxy-1,1-diphenylmethanimine
CID 12982594
[[phenyl-(4-phenylphenyl)methylidene]amino] cyclohexanecarboxylate
CID 5021428
(benzhydrylideneamino) N-(3-chlorophenyl)carbamate
CID 3836525
[(E)-1-phenylethylideneamino] acetate
CID 5392489
[(E)-[amino(phenyl)methylidene]amino] benzoate
CID 6149734
bis(1,2-diphenylethane-1,2-dione);hydrogen peroxide
CID 18415505
[[phenyl(pyridin-3-yl)methylidene]amino] 3-phenylprop-2-enoate
CID 5073278

Frequently Asked Questions

What is the IUPAC name of (benzhydrylideneamino) hydrogen carbonate?
The IUPAC name of (benzhydrylideneamino) hydrogen carbonate (CID 91323284) is (benzhydrylideneamino) hydrogen carbonate.
What is the SMILES notation for (benzhydrylideneamino) hydrogen carbonate?
The canonical SMILES for (benzhydrylideneamino) hydrogen carbonate is O=C(O)ON=C(c1ccccc1)c1ccccc1.
What is the InChIKey of (benzhydrylideneamino) hydrogen carbonate?
The InChIKey is CIFOVYWDSFKXIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO3/c16-14(17)18-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H,(H,16,17).
What are the key properties of (benzhydrylideneamino) hydrogen carbonate?
(benzhydrylideneamino) hydrogen carbonate has a molecular weight of 241.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (benzhydrylideneamino) hydrogen carbonate is sourced from PubChem (CID 91323284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).