chloro-oxo-(propan-2-ylamino)phosphanium

C3H8ClNOP+ — CID 164523797

IUPACchloro-oxo-(propan-2-ylamino)phosphanium
SMILESCC(C)N[P+](=O)Cl
InChIInChI=1S/C3H8ClNOP/c1-3(2)5-7(4)6/h3H,1-2H3,(H,5,6)/q+1
InChIKeyLQEMKKOXIQZNHK-UHFFFAOYSA-N
MW140.53 g/mol
LogP1.88
Rot. Bonds2

About chloro-oxo-(propan-2-ylamino)phosphanium

chloro-oxo-(propan-2-ylamino)phosphanium (PubChem CID 164523797) has the molecular formula C3H8ClNOP+ and a molecular weight of 140.53 g/mol. Its IUPAC name is chloro-oxo-(propan-2-ylamino)phosphanium.

Molecular Properties

Compound Namechloro-oxo-(propan-2-ylamino)phosphanium
PubChem CID164523797
Molecular FormulaC3H8ClNOP+
Molecular Weight140.53 g/mol
Exact Mass140.00
IUPAC Namechloro-oxo-(propan-2-ylamino)phosphanium
SMILESCC(C)N[P+](=O)Cl
InChIInChI=1S/C3H8ClNOP/c1-3(2)5-7(4)6/h3H,1-2H3,(H,5,6)/q+1
InChIKeyLQEMKKOXIQZNHK-UHFFFAOYSA-N
XLogP1.88
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.53
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze chloro-oxo-(propan-2-ylamino)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloro-oxo-(propan-2-ylamino)phosphanium?
The IUPAC name of chloro-oxo-(propan-2-ylamino)phosphanium (CID 164523797) is chloro-oxo-(propan-2-ylamino)phosphanium.
What is the SMILES notation for chloro-oxo-(propan-2-ylamino)phosphanium?
The canonical SMILES for chloro-oxo-(propan-2-ylamino)phosphanium is CC(C)N[P+](=O)Cl.
What is the InChIKey of chloro-oxo-(propan-2-ylamino)phosphanium?
The InChIKey is LQEMKKOXIQZNHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClNOP/c1-3(2)5-7(4)6/h3H,1-2H3,(H,5,6)/q+1.
What are the key properties of chloro-oxo-(propan-2-ylamino)phosphanium?
chloro-oxo-(propan-2-ylamino)phosphanium has a molecular weight of 140.53 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-oxo-(propan-2-ylamino)phosphanium is sourced from PubChem (CID 164523797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).