imino(phosphanyl)phosphane;(4-nitrophenyl) 2-methylpropanoate

C10H14N2O4P2 — CID 161419042

IUPACimino(phosphanyl)phosphane;(4-nitrophenyl) 2-methylpropanoate
SMILESCC(C)C(=O)Oc1ccc([N+](=O)[O-])cc1.[H]/N=P/P
InChIInChI=1S/C10H11NO4.H3NP2/c1-7(2)10(12)15-9-5-3-8(4-6-9)11(13)14;1-3-2/h3-7H,1-2H3;1H,2H2
InChIKeyVWLZUUXEUWMHRC-UHFFFAOYSA-N
MW288.18 g/mol
LogP3.64
Rot. Bonds3

About imino(phosphanyl)phosphane;(4-nitrophenyl) 2-methylpropanoate

imino(phosphanyl)phosphane;(4-nitrophenyl) 2-methylpropanoate (PubChem CID 161419042) has the molecular formula C10H14N2O4P2 and a molecular weight of 288.18 g/mol. Its IUPAC name is imino(phosphanyl)phosphane;(4-nitrophenyl) 2-methylpropanoate.

Molecular Properties

Compound Nameimino(phosphanyl)phosphane;(4-nitrophenyl) 2-methylpropanoate
PubChem CID161419042
Molecular FormulaC10H14N2O4P2
Molecular Weight288.18 g/mol
Exact Mass288.04
IUPAC Nameimino(phosphanyl)phosphane;(4-nitrophenyl) 2-methylpropanoate
SMILESCC(C)C(=O)Oc1ccc([N+](=O)[O-])cc1.[H]/N=P/P
InChIInChI=1S/C10H11NO4.H3NP2/c1-7(2)10(12)15-9-5-3-8(4-6-9)11(13)14;1-3-2/h3-7H,1-2H3;1H,2H2
InChIKeyVWLZUUXEUWMHRC-UHFFFAOYSA-N
XLogP3.64
TPSA93.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-nitrophenoxy)carbonyloxymethyl 2-methylpropanoate
CID 18475374
(4-methyl-3-oxopentan-2-yl) (4-nitrophenyl) carbonate
CID 77247902
[(2S)-3-methylbutan-2-yl] (4-nitrophenyl) carbonate
CID 138719949
[(2R)-3-methylbutan-2-yl] (4-nitrophenyl) carbonate
CID 138719095
[4-(4-nitrophenoxy)phenyl] 2-(4-phenoxyphenoxy)propanoate
CID 14498576
[1-(4-nitrophenoxy)-1-oxopropan-2-yl] (Z)-but-2-enoate
CID 139920341
(4-nitrophenyl) (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 7021877
acetic acid;(4-nitrophenyl) hydrogen carbonate
CID 175389451
trisodium;(4-nitrophenyl) acetate;phosphate
CID 175833825
1-O-(4-nitrophenyl) 4-O-phosphanyl (2S)-2-(phosphanylphosphanylideneamino)butanedioate
CID 90346651
(4-nitrophenyl) (2S)-2-amino-3-phenylpropanoate
CID 10924141
sodium (4-nitrophenyl) carbonate
CID 172808838

Frequently Asked Questions

What is the IUPAC name of imino(phosphanyl)phosphane;(4-nitrophenyl) 2-methylpropanoate?
The IUPAC name of imino(phosphanyl)phosphane;(4-nitrophenyl) 2-methylpropanoate (CID 161419042) is imino(phosphanyl)phosphane;(4-nitrophenyl) 2-methylpropanoate.
What is the SMILES notation for imino(phosphanyl)phosphane;(4-nitrophenyl) 2-methylpropanoate?
The canonical SMILES for imino(phosphanyl)phosphane;(4-nitrophenyl) 2-methylpropanoate is CC(C)C(=O)Oc1ccc([N+](=O)[O-])cc1.[H]/N=P/P.
What is the InChIKey of imino(phosphanyl)phosphane;(4-nitrophenyl) 2-methylpropanoate?
The InChIKey is VWLZUUXEUWMHRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4.H3NP2/c1-7(2)10(12)15-9-5-3-8(4-6-9)11(13)14;1-3-2/h3-7H,1-2H3;1H,2H2.
What are the key properties of imino(phosphanyl)phosphane;(4-nitrophenyl) 2-methylpropanoate?
imino(phosphanyl)phosphane;(4-nitrophenyl) 2-methylpropanoate has a molecular weight of 288.18 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for imino(phosphanyl)phosphane;(4-nitrophenyl) 2-methylpropanoate is sourced from PubChem (CID 161419042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).