azane;cyclopropane;phosphoric acid

C3H12NO4P — CID 67655484

IUPACazane;cyclopropane;phosphoric acid
SMILESC1CC1.N.O=P(O)(O)O
InChIInChI=1S/C3H6.H3N.H3O4P/c1-2-3-1;;1-5(2,3)4/h1-3H2;1H3;(H3,1,2,3,4)
InChIKeyKESZFIBELWMOSL-UHFFFAOYSA-N
MW157.11 g/mol
LogP0.40
Rot. Bonds

About azane;cyclopropane;phosphoric acid

azane;cyclopropane;phosphoric acid (PubChem CID 67655484) has the molecular formula C3H12NO4P and a molecular weight of 157.11 g/mol. Its IUPAC name is azane;cyclopropane;phosphoric acid.

Molecular Properties

Compound Nameazane;cyclopropane;phosphoric acid
PubChem CID67655484
Molecular FormulaC3H12NO4P
Molecular Weight157.11 g/mol
Exact Mass157.05
IUPAC Nameazane;cyclopropane;phosphoric acid
SMILESC1CC1.N.O=P(O)(O)O
InChIInChI=1S/C3H6.H3N.H3O4P/c1-2-3-1;;1-5(2,3)4/h1-3H2;1H3;(H3,1,2,3,4)
InChIKeyKESZFIBELWMOSL-UHFFFAOYSA-N
XLogP0.40
TPSA112.76 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.11
LogP ≤ 50.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

cyclohexane;phosphoric acid
CID 66712199
azane;phosphoric acid
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azane;phosphoric acid;hydrate
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CID 173049818
azane;methane;phosphoric acid
CID 174060347
azane;iron;phosphoric acid
CID 174725470
CID 172998917
CID 172998917
azane;phosphoric acid;tungsten
CID 174566468
lithium;azane;hydride;phosphoric acid
CID 173015565
cesium;azane;hydride;phosphoric acid
CID 174611777
azane;hydroxylamine;phosphoric acid
CID 173277328
calcium;azane;hydride;phosphoric acid
CID 174906772

Frequently Asked Questions

What is the IUPAC name of azane;cyclopropane;phosphoric acid?
The IUPAC name of azane;cyclopropane;phosphoric acid (CID 67655484) is azane;cyclopropane;phosphoric acid.
What is the SMILES notation for azane;cyclopropane;phosphoric acid?
The canonical SMILES for azane;cyclopropane;phosphoric acid is C1CC1.N.O=P(O)(O)O.
What is the InChIKey of azane;cyclopropane;phosphoric acid?
The InChIKey is KESZFIBELWMOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6.H3N.H3O4P/c1-2-3-1;;1-5(2,3)4/h1-3H2;1H3;(H3,1,2,3,4).
What are the key properties of azane;cyclopropane;phosphoric acid?
azane;cyclopropane;phosphoric acid has a molecular weight of 157.11 g/mol, XLogP of 0.40, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;cyclopropane;phosphoric acid is sourced from PubChem (CID 67655484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).