N-(cyclopentylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine

C21H21N2O2P — CID 5034786

IUPACN-(cyclopentylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine
SMILESO=P1(NN=C2CCCC2)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C21H21N2O2P/c24-26(23-22-19-13-7-8-14-19)15-20(17-9-3-1-4-10-17)25-21(16-26)18-11-5-2-6-12-18/h1-6,9-12,15-16H,7-8,13-14H2,(H,23,24)
InChIKeyHOHTUIDDGYRMJG-UHFFFAOYSA-N
MW364.38 g/mol
LogP5.81
Rot. Bonds4

About N-(cyclopentylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine

N-(cyclopentylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine (PubChem CID 5034786) has the molecular formula C21H21N2O2P and a molecular weight of 364.38 g/mol. Its IUPAC name is N-(cyclopentylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine.

Molecular Properties

Compound NameN-(cyclopentylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine
PubChem CID5034786
Molecular FormulaC21H21N2O2P
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC NameN-(cyclopentylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine
SMILESO=P1(NN=C2CCCC2)C=C(c2ccccc2)OC(c2ccccc2)=C1
InChIInChI=1S/C21H21N2O2P/c24-26(23-22-19-13-7-8-14-19)15-20(17-9-3-1-4-10-17)25-21(16-26)18-11-5-2-6-12-18/h1-6,9-12,15-16H,7-8,13-14H2,(H,23,24)
InChIKeyHOHTUIDDGYRMJG-UHFFFAOYSA-N
XLogP5.81
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.38
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 2347629
4-(2,6-Diphenylpyran-4-ylidene)-3,5-dimethylpyrazol-1-ium perchlorate
CID 12808404
(4-Oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)hydrazine
CID 2322081
4-oxo-2,6-diphenyl-N-(1-phenylethylideneamino)-1,4lambda5-oxaphosphinin-4-amine
CID 4270821
4-oxo-2,6-diphenyl-N-[(E)-1-phenylethylideneamino]-1,4lambda5-oxaphosphinin-4-amine
CID 9655592
2-[(4-Oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)amino]ethylazanium
CID 2345526
N'-(4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-yl)ethane-1,2-diamine
CID 2345527
4-oxo-2,6-diphenyl-N-(propan-2-ylideneamino)-1,4lambda5-oxaphosphinin-4-amine
CID 3925132
N-[(4-methylcyclohexylidene)amino]-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 4016338
N-(cyclohexylideneamino)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 4210844
4-oxo-2,6-diphenyl-N-(4-phenylbutan-2-ylideneamino)-1,4lambda5-oxaphosphinin-4-amine
CID 4301256
N-(butan-2-ylideneamino)-4-oxo-2,6-diphenyl-1,4lambda5-oxaphosphinin-4-amine
CID 4369690

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine?
The IUPAC name of N-(cyclopentylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine (CID 5034786) is N-(cyclopentylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine.
What is the SMILES notation for N-(cyclopentylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine?
The canonical SMILES for N-(cyclopentylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine is O=P1(NN=C2CCCC2)C=C(c2ccccc2)OC(c2ccccc2)=C1.
What is the InChIKey of N-(cyclopentylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine?
The InChIKey is HOHTUIDDGYRMJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N2O2P/c24-26(23-22-19-13-7-8-14-19)15-20(17-9-3-1-4-10-17)25-21(16-26)18-11-5-2-6-12-18/h1-6,9-12,15-16H,7-8,13-14H2,(H,23,24).
What are the key properties of N-(cyclopentylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine?
N-(cyclopentylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine has a molecular weight of 364.38 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylideneamino)-4-oxo-2,6-diphenyl-1,4λ5-oxaphosphinin-4-amine is sourced from PubChem (CID 5034786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).