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

C3H8NO3P — CID 130404364

IUPAC(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine
SMILESNCP1(=O)OCCO1
InChIInChI=1S/C3H8NO3P/c4-3-8(5)6-1-2-7-8/h1-4H2
InChIKeyDZXGRFQMQJODOP-UHFFFAOYSA-N
MW137.08 g/mol
LogP0.14
Rot. Bonds1

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

(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine (PubChem CID 130404364) has the molecular formula C3H8NO3P and a molecular weight of 137.08 g/mol. Its IUPAC name is (2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine.

Molecular Properties

Compound Name(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine
PubChem CID130404364
Molecular FormulaC3H8NO3P
Molecular Weight137.08 g/mol
Exact Mass137.02
IUPAC Name(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine
SMILESNCP1(=O)OCCO1
InChIInChI=1S/C3H8NO3P/c4-3-8(5)6-1-2-7-8/h1-4H2
InChIKeyDZXGRFQMQJODOP-UHFFFAOYSA-N
XLogP0.14
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.08
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine?
The IUPAC name of (2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine (CID 130404364) is (2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine.
What is the SMILES notation for (2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine?
The canonical SMILES for (2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine is NCP1(=O)OCCO1.
What is the InChIKey of (2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine?
The InChIKey is DZXGRFQMQJODOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8NO3P/c4-3-8(5)6-1-2-7-8/h1-4H2.
What are the key properties of (2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine?
(2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine has a molecular weight of 137.08 g/mol, XLogP of 0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-1,3,2λ5-dioxaphospholan-2-yl)methanamine is sourced from PubChem (CID 130404364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).