diphosphonato(pyrrolidin-2-yl)methanol

C5H9NO7P2-4 — CID 22156585

IUPACdiphosphonato(pyrrolidin-2-yl)methanol
SMILESO=P([O-])([O-])C(O)(C1CCCN1)P(=O)([O-])[O-]
InChIInChI=1S/C5H13NO7P2/c7-5(14(8,9)10,15(11,12)13)4-2-1-3-6-4/h4,6-7H,1-3H2,(H2,8,9,10)(H2,11,12,13)/p-4
InChIKeyCLYLMFMDQMXLHE-UHFFFAOYSA-J
MW257.07 g/mol
LogP-3.79
Rot. Bonds3

About diphosphonato(pyrrolidin-2-yl)methanol

diphosphonato(pyrrolidin-2-yl)methanol (PubChem CID 22156585) has the molecular formula C5H9NO7P2-4 and a molecular weight of 257.07 g/mol. Its IUPAC name is diphosphonato(pyrrolidin-2-yl)methanol.

Molecular Properties

Compound Namediphosphonato(pyrrolidin-2-yl)methanol
PubChem CID22156585
Molecular FormulaC5H9NO7P2-4
Molecular Weight257.07 g/mol
Exact Mass256.99
IUPAC Namediphosphonato(pyrrolidin-2-yl)methanol
SMILESO=P([O-])([O-])C(O)(C1CCCN1)P(=O)([O-])[O-]
InChIInChI=1S/C5H13NO7P2/c7-5(14(8,9)10,15(11,12)13)4-2-1-3-6-4/h4,6-7H,1-3H2,(H2,8,9,10)(H2,11,12,13)/p-4
InChIKeyCLYLMFMDQMXLHE-UHFFFAOYSA-J
XLogP-3.79
TPSA158.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.07
LogP ≤ 5-3.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-pyrrolidin-2-yl]propan-2-ol
CID 12732175
1-chloro-1-pyrrolidin-2-ylethanol
CID 126542181
1,1,1,3,3,3-hexafluoro-2-[(2S)-pyrrolidin-2-yl]propan-2-ol
CID 167396115
(2R)-3-methyl-2-[(2S)-pyrrolidin-2-yl]butan-2-ol
CID 138485633
4,4-dimethyl-2-pyrrolidin-2-ylpentan-2-ol
CID 130920740
2,2-difluoro-2-pyrrolidin-2-ylacetyl chloride
CID 105440883
2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol
CID 137368500
1,1-difluoro-1-pyrrolidin-2-ylpropan-2-one
CID 105432005
2-tert-butylpyrrolidine;methane
CID 174978961
(2S)-2-[(2S)-pyrrolidin-2-yl]but-3-yn-2-ol;sulfane
CID 167598159
[(2R)-pyrrolidin-2-yl]phosphonic acid
CID 53355435
pyrrolidin-2-ylphosphonic acid;hydrate
CID 168869998

Frequently Asked Questions

What is the IUPAC name of diphosphonato(pyrrolidin-2-yl)methanol?
The IUPAC name of diphosphonato(pyrrolidin-2-yl)methanol (CID 22156585) is diphosphonato(pyrrolidin-2-yl)methanol.
What is the SMILES notation for diphosphonato(pyrrolidin-2-yl)methanol?
The canonical SMILES for diphosphonato(pyrrolidin-2-yl)methanol is O=P([O-])([O-])C(O)(C1CCCN1)P(=O)([O-])[O-].
What is the InChIKey of diphosphonato(pyrrolidin-2-yl)methanol?
The InChIKey is CLYLMFMDQMXLHE-UHFFFAOYSA-J. The full InChI is InChI=1S/C5H13NO7P2/c7-5(14(8,9)10,15(11,12)13)4-2-1-3-6-4/h4,6-7H,1-3H2,(H2,8,9,10)(H2,11,12,13)/p-4.
What are the key properties of diphosphonato(pyrrolidin-2-yl)methanol?
diphosphonato(pyrrolidin-2-yl)methanol has a molecular weight of 257.07 g/mol, XLogP of -3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diphosphonato(pyrrolidin-2-yl)methanol is sourced from PubChem (CID 22156585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).