cyclopenta-1,2,4-trien-1-yl-dimethoxy-phenylimino-λ5-phosphane

C13H14NO2P — CID 177479553

IUPACcyclopenta-1,2,4-trien-1-yl-dimethoxy-phenylimino-λ5-phosphane
SMILESCOP(=Nc1ccccc1)(OC)C1=C=CC=C1
InChIInChI=1S/C13H14NO2P/c1-15-17(16-2,13-10-6-7-11-13)14-12-8-4-3-5-9-12/h3-10H,1-2H3
InChIKeySWCLFLNGZTZCAO-UHFFFAOYSA-N
MW247.23 g/mol
LogP4.25
Rot. Bonds4

About cyclopenta-1,2,4-trien-1-yl-dimethoxy-phenylimino-λ5-phosphane

cyclopenta-1,2,4-trien-1-yl-dimethoxy-phenylimino-λ5-phosphane (PubChem CID 177479553) has the molecular formula C13H14NO2P and a molecular weight of 247.23 g/mol. Its IUPAC name is cyclopenta-1,2,4-trien-1-yl-dimethoxy-phenylimino-λ5-phosphane.

Molecular Properties

Compound Namecyclopenta-1,2,4-trien-1-yl-dimethoxy-phenylimino-λ5-phosphane
PubChem CID177479553
Molecular FormulaC13H14NO2P
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Namecyclopenta-1,2,4-trien-1-yl-dimethoxy-phenylimino-λ5-phosphane
SMILESCOP(=Nc1ccccc1)(OC)C1=C=CC=C1
InChIInChI=1S/C13H14NO2P/c1-15-17(16-2,13-10-6-7-11-13)14-12-8-4-3-5-9-12/h3-10H,1-2H3
InChIKeySWCLFLNGZTZCAO-UHFFFAOYSA-N
XLogP4.25
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phosphoramidic acid, phenyl-, diethyl ester
CID 15049
Phosphoramidic acid, phenyl-, dibutyl ester
CID 99244
O,O-Diethyl N-phenylphosphoramidothioate
CID 199100
Dimethyl (3-aminophenyl)phosphonate
CID 13348403
Bis(1-methylethyl) N-phenylphosphoramidate
CID 121147
Phosphonamidic acid, N,P-diphenyl-, ethyl ester
CID 3060452
3-Diethoxyphosphorylaniline
CID 284866
Dipropan-2-yl(3-aminophenyl)phosphonate
CID 13649474
N-Dimethoxyphosphorylaniline
CID 185901
Diethyl anilinophosphite
CID 521336
Triethyl phenylimidophosphate
CID 305466
Phosphoramidic acid, phenyl-, dipropyl ester
CID 213361

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,2,4-trien-1-yl-dimethoxy-phenylimino-λ5-phosphane?
The IUPAC name of cyclopenta-1,2,4-trien-1-yl-dimethoxy-phenylimino-λ5-phosphane (CID 177479553) is cyclopenta-1,2,4-trien-1-yl-dimethoxy-phenylimino-λ5-phosphane.
What is the SMILES notation for cyclopenta-1,2,4-trien-1-yl-dimethoxy-phenylimino-λ5-phosphane?
The canonical SMILES for cyclopenta-1,2,4-trien-1-yl-dimethoxy-phenylimino-λ5-phosphane is COP(=Nc1ccccc1)(OC)C1=C=CC=C1.
What is the InChIKey of cyclopenta-1,2,4-trien-1-yl-dimethoxy-phenylimino-λ5-phosphane?
The InChIKey is SWCLFLNGZTZCAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14NO2P/c1-15-17(16-2,13-10-6-7-11-13)14-12-8-4-3-5-9-12/h3-10H,1-2H3.
What are the key properties of cyclopenta-1,2,4-trien-1-yl-dimethoxy-phenylimino-λ5-phosphane?
cyclopenta-1,2,4-trien-1-yl-dimethoxy-phenylimino-λ5-phosphane has a molecular weight of 247.23 g/mol, XLogP of 4.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopenta-1,2,4-trien-1-yl-dimethoxy-phenylimino-λ5-phosphane is sourced from PubChem (CID 177479553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).