dipyrrolidin-1-yl hydrogen phosphate

C8H17N2O4P — CID 67301848

IUPACdipyrrolidin-1-yl hydrogen phosphate
SMILESO=P(O)(ON1CCCC1)ON1CCCC1
InChIInChI=1S/C8H17N2O4P/c11-15(12,13-9-5-1-2-6-9)14-10-7-3-4-8-10/h1-8H2,(H,11,12)
InChIKeyMHABAAVDCQVXPF-UHFFFAOYSA-N
MW236.21 g/mol
LogP1.14
Rot. Bonds4

About dipyrrolidin-1-yl hydrogen phosphate

dipyrrolidin-1-yl hydrogen phosphate (PubChem CID 67301848) has the molecular formula C8H17N2O4P and a molecular weight of 236.21 g/mol. Its IUPAC name is dipyrrolidin-1-yl hydrogen phosphate.

Molecular Properties

Compound Namedipyrrolidin-1-yl hydrogen phosphate
PubChem CID67301848
Molecular FormulaC8H17N2O4P
Molecular Weight236.21 g/mol
Exact Mass236.09
IUPAC Namedipyrrolidin-1-yl hydrogen phosphate
SMILESO=P(O)(ON1CCCC1)ON1CCCC1
InChIInChI=1S/C8H17N2O4P/c11-15(12,13-9-5-1-2-6-9)14-10-7-3-4-8-10/h1-8H2,(H,11,12)
InChIKeyMHABAAVDCQVXPF-UHFFFAOYSA-N
XLogP1.14
TPSA62.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dipyrrolidin-1-yl hydrogen phosphate?
The IUPAC name of dipyrrolidin-1-yl hydrogen phosphate (CID 67301848) is dipyrrolidin-1-yl hydrogen phosphate.
What is the SMILES notation for dipyrrolidin-1-yl hydrogen phosphate?
The canonical SMILES for dipyrrolidin-1-yl hydrogen phosphate is O=P(O)(ON1CCCC1)ON1CCCC1.
What is the InChIKey of dipyrrolidin-1-yl hydrogen phosphate?
The InChIKey is MHABAAVDCQVXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N2O4P/c11-15(12,13-9-5-1-2-6-9)14-10-7-3-4-8-10/h1-8H2,(H,11,12).
What are the key properties of dipyrrolidin-1-yl hydrogen phosphate?
dipyrrolidin-1-yl hydrogen phosphate has a molecular weight of 236.21 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for dipyrrolidin-1-yl hydrogen phosphate is sourced from PubChem (CID 67301848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).