phosphoric acid;tris(pyrrolidine)

C12H30N3O4P — CID 172771048

IUPACphosphoric acid;tris(pyrrolidine)
SMILESC1CCNC1.C1CCNC1.C1CCNC1.O=P(O)(O)O
InChIInChI=1S/3C4H9N.H3O4P/c3*1-2-4-5-3-1;1-5(2,3)4/h3*5H,1-4H2;(H3,1,2,3,4)
InChIKeyMYMPHYBZQPRJRU-UHFFFAOYSA-N
MW311.36 g/mol
LogP0.18
Rot. Bonds

About phosphoric acid;tris(pyrrolidine)

phosphoric acid;tris(pyrrolidine) (PubChem CID 172771048) has the molecular formula C12H30N3O4P and a molecular weight of 311.36 g/mol. Its IUPAC name is phosphoric acid;tris(pyrrolidine).

Molecular Properties

Compound Namephosphoric acid;tris(pyrrolidine)
PubChem CID172771048
Molecular FormulaC12H30N3O4P
Molecular Weight311.36 g/mol
Exact Mass311.20
IUPAC Namephosphoric acid;tris(pyrrolidine)
SMILESC1CCNC1.C1CCNC1.C1CCNC1.O=P(O)(O)O
InChIInChI=1S/3C4H9N.H3O4P/c3*1-2-4-5-3-1;1-5(2,3)4/h3*5H,1-4H2;(H3,1,2,3,4)
InChIKeyMYMPHYBZQPRJRU-UHFFFAOYSA-N
XLogP0.18
TPSA113.85 Ų
H-Bond Donors6
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500311.36
LogP ≤ 50.18
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

azetidine;phosphoric acid
CID 172755037
oxophosphanium;pyrrolidine
CID 160540028
(5-phosphonoazonan-5-yl)phosphonic acid
CID 139663575
imidazolidine;phosphoric acid
CID 174516129
propan-2-one;pyrrolidine
CID 67819673
aminophosphonic acid;piperazine
CID 175475544
pyrrolidine;sulfuryl dichloride
CID 21430333
phosphoric acid;thiomorpholine
CID 174982514
azacyclotriacontane
CID 57238597
azepane;piperidine
CID 67415778
1,12,23,34-tetrazacyclotetratetracontane
CID 15722582
1,6,13-triazacyclononadecane
CID 71376561

Frequently Asked Questions

What is the IUPAC name of phosphoric acid;tris(pyrrolidine)?
The IUPAC name of phosphoric acid;tris(pyrrolidine) (CID 172771048) is phosphoric acid;tris(pyrrolidine).
What is the SMILES notation for phosphoric acid;tris(pyrrolidine)?
The canonical SMILES for phosphoric acid;tris(pyrrolidine) is C1CCNC1.C1CCNC1.C1CCNC1.O=P(O)(O)O.
What is the InChIKey of phosphoric acid;tris(pyrrolidine)?
The InChIKey is MYMPHYBZQPRJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H9N.H3O4P/c3*1-2-4-5-3-1;1-5(2,3)4/h3*5H,1-4H2;(H3,1,2,3,4).
What are the key properties of phosphoric acid;tris(pyrrolidine)?
phosphoric acid;tris(pyrrolidine) has a molecular weight of 311.36 g/mol, XLogP of 0.18, 0 rotatable bonds, 6 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phosphoric acid;tris(pyrrolidine) is sourced from PubChem (CID 172771048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).