1-diaminophosphoryl-3-(methylamino)pyrrolidin-2-one

C5H13N4O2P — CID 20594538

IUPAC1-diaminophosphoryl-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(P(N)(N)=O)C1=O
InChIInChI=1S/C5H13N4O2P/c1-8-4-2-3-9(5(4)10)12(6,7)11/h4,8H,2-3H2,1H3,(H4,6,7,11)
InChIKeyYUCRAYOVTGFDBA-UHFFFAOYSA-N
MW192.16 g/mol
LogP-1.17
Rot. Bonds2

About 1-diaminophosphoryl-3-(methylamino)pyrrolidin-2-one

1-diaminophosphoryl-3-(methylamino)pyrrolidin-2-one (PubChem CID 20594538) has the molecular formula C5H13N4O2P and a molecular weight of 192.16 g/mol. Its IUPAC name is 1-diaminophosphoryl-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-diaminophosphoryl-3-(methylamino)pyrrolidin-2-one
PubChem CID20594538
Molecular FormulaC5H13N4O2P
Molecular Weight192.16 g/mol
Exact Mass192.08
IUPAC Name1-diaminophosphoryl-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(P(N)(N)=O)C1=O
InChIInChI=1S/C5H13N4O2P/c1-8-4-2-3-9(5(4)10)12(6,7)11/h4,8H,2-3H2,1H3,(H4,6,7,11)
InChIKeyYUCRAYOVTGFDBA-UHFFFAOYSA-N
XLogP-1.17
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.16
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-diaminophosphoryl-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of 1-diaminophosphoryl-3-(methylamino)pyrrolidin-2-one (CID 20594538) is 1-diaminophosphoryl-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-diaminophosphoryl-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for 1-diaminophosphoryl-3-(methylamino)pyrrolidin-2-one is CNC1CCN(P(N)(N)=O)C1=O.
What is the InChIKey of 1-diaminophosphoryl-3-(methylamino)pyrrolidin-2-one?
The InChIKey is YUCRAYOVTGFDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N4O2P/c1-8-4-2-3-9(5(4)10)12(6,7)11/h4,8H,2-3H2,1H3,(H4,6,7,11).
What are the key properties of 1-diaminophosphoryl-3-(methylamino)pyrrolidin-2-one?
1-diaminophosphoryl-3-(methylamino)pyrrolidin-2-one has a molecular weight of 192.16 g/mol, XLogP of -1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diaminophosphoryl-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 20594538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).