azane;(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine

C3H11N2O3P — CID 130404363

IUPACazane;(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine
SMILESN.NCP1(=O)OCCO1
InChIInChI=1S/C3H8NO3P.H3N/c4-3-8(5)6-1-2-7-8;/h1-4H2;1H3
InChIKeyBQQZRUSFKBLDST-UHFFFAOYSA-N
MW154.11 g/mol
LogP0.30
Rot. Bonds1

About azane;(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine

azane;(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine (PubChem CID 130404363) has the molecular formula C3H11N2O3P and a molecular weight of 154.11 g/mol. Its IUPAC name is azane;(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine.

Molecular Properties

Compound Nameazane;(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine
PubChem CID130404363
Molecular FormulaC3H11N2O3P
Molecular Weight154.11 g/mol
Exact Mass154.05
IUPAC Nameazane;(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine
SMILESN.NCP1(=O)OCCO1
InChIInChI=1S/C3H8NO3P.H3N/c4-3-8(5)6-1-2-7-8;/h1-4H2;1H3
InChIKeyBQQZRUSFKBLDST-UHFFFAOYSA-N
XLogP0.30
TPSA96.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.11
LogP ≤ 50.30
H-Bond Donors ≤ 52
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 azane;(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine?
The IUPAC name of azane;(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine (CID 130404363) is azane;(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine.
What is the SMILES notation for azane;(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine?
The canonical SMILES for azane;(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine is N.NCP1(=O)OCCO1.
What is the InChIKey of azane;(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine?
The InChIKey is BQQZRUSFKBLDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO3P.H3N/c4-3-8(5)6-1-2-7-8;/h1-4H2;1H3.
What are the key properties of azane;(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine?
azane;(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine has a molecular weight of 154.11 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azane;(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine is sourced from PubChem (CID 130404363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).