phosphanyl 2-(benzylideneamino)acetate

C9H10NO2P — CID 88978605

IUPACphosphanyl 2-(benzylideneamino)acetate
SMILESO=C(C/N=C/c1ccccc1)OP
InChIInChI=1S/C9H10NO2P/c11-9(12-13)7-10-6-8-4-2-1-3-5-8/h1-6H,7,13H2/b10-6+
InChIKeyZSBGCTQDOVYUJM-UXBLZVDNSA-N
MW195.16 g/mol
LogP1.44
Rot. Bonds3

About phosphanyl 2-(benzylideneamino)acetate

phosphanyl 2-(benzylideneamino)acetate (PubChem CID 88978605) has the molecular formula C9H10NO2P and a molecular weight of 195.16 g/mol. Its IUPAC name is phosphanyl 2-(benzylideneamino)acetate.

Molecular Properties

Compound Namephosphanyl 2-(benzylideneamino)acetate
PubChem CID88978605
Molecular FormulaC9H10NO2P
Molecular Weight195.16 g/mol
Exact Mass195.04
IUPAC Namephosphanyl 2-(benzylideneamino)acetate
SMILESO=C(C/N=C/c1ccccc1)OP
InChIInChI=1S/C9H10NO2P/c11-9(12-13)7-10-6-8-4-2-1-3-5-8/h1-6H,7,13H2/b10-6+
InChIKeyZSBGCTQDOVYUJM-UXBLZVDNSA-N
XLogP1.44
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.16
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-(benzylideneamino)acetate
CID 132550307
prop-1-en-2-yl 2-(benzylideneamino)acetate
CID 89150054
2,2,2-trifluoroethyl 2-(benzylideneamino)acetate
CID 102600153
2-(benzylideneamino)acetaldehyde
CID 19818582
[2-[2-(benzylideneamino)acetyl]phenyl] acetate
CID 101443233
1-(benzylideneamino)-3-(2,6-dimethylphenyl)propan-2-one
CID 157328238
ethyl 2-[(4-hydroxyphenyl)methylideneamino]acetate
CID 135509911
(E)-3-[4-[2-(benzylideneamino)acetyl]phenyl]-N-hydroxyprop-2-enamide
CID 157186787
methyl 6-(benzylideneamino)hexanoate
CID 11020797
ethyl 2-[(4-bromophenyl)methylideneamino]acetate
CID 10492236
ethyl 2-[(2-methylphenyl)methylideneamino]acetate
CID 15468535
propyl 2-[(4-methylphenyl)methylideneamino]acetate
CID 141262028

Frequently Asked Questions

What is the IUPAC name of phosphanyl 2-(benzylideneamino)acetate?
The IUPAC name of phosphanyl 2-(benzylideneamino)acetate (CID 88978605) is phosphanyl 2-(benzylideneamino)acetate.
What is the SMILES notation for phosphanyl 2-(benzylideneamino)acetate?
The canonical SMILES for phosphanyl 2-(benzylideneamino)acetate is O=C(C/N=C/c1ccccc1)OP.
What is the InChIKey of phosphanyl 2-(benzylideneamino)acetate?
The InChIKey is ZSBGCTQDOVYUJM-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H10NO2P/c11-9(12-13)7-10-6-8-4-2-1-3-5-8/h1-6H,7,13H2/b10-6+.
What are the key properties of phosphanyl 2-(benzylideneamino)acetate?
phosphanyl 2-(benzylideneamino)acetate has a molecular weight of 195.16 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phosphanyl 2-(benzylideneamino)acetate is sourced from PubChem (CID 88978605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).