3-methyl-5-[1-(phosphanylamino)ethyl]oxolan-2-one

C7H14NO2P — CID 21062054

IUPAC3-methyl-5-[1-(phosphanylamino)ethyl]oxolan-2-one
SMILESCC1CC(C(C)NP)OC1=O
InChIInChI=1S/C7H14NO2P/c1-4-3-6(5(2)8-11)10-7(4)9/h4-6,8H,3,11H2,1-2H3
InChIKeyRVFFVRPFXZIRSM-UHFFFAOYSA-N
MW175.17 g/mol
LogP0.71
Rot. Bonds2

About 3-methyl-5-[1-(phosphanylamino)ethyl]oxolan-2-one

3-methyl-5-[1-(phosphanylamino)ethyl]oxolan-2-one (PubChem CID 21062054) has the molecular formula C7H14NO2P and a molecular weight of 175.17 g/mol. Its IUPAC name is 3-methyl-5-[1-(phosphanylamino)ethyl]oxolan-2-one.

Molecular Properties

Compound Name3-methyl-5-[1-(phosphanylamino)ethyl]oxolan-2-one
PubChem CID21062054
Molecular FormulaC7H14NO2P
Molecular Weight175.17 g/mol
Exact Mass175.08
IUPAC Name3-methyl-5-[1-(phosphanylamino)ethyl]oxolan-2-one
SMILESCC1CC(C(C)NP)OC1=O
InChIInChI=1S/C7H14NO2P/c1-4-3-6(5(2)8-11)10-7(4)9/h4-6,8H,3,11H2,1-2H3
InChIKeyRVFFVRPFXZIRSM-UHFFFAOYSA-N
XLogP0.71
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.17
LogP ≤ 50.71
H-Bond Donors ≤ 51
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 3-methyl-5-[1-(phosphanylamino)ethyl]oxolan-2-one?
The IUPAC name of 3-methyl-5-[1-(phosphanylamino)ethyl]oxolan-2-one (CID 21062054) is 3-methyl-5-[1-(phosphanylamino)ethyl]oxolan-2-one.
What is the SMILES notation for 3-methyl-5-[1-(phosphanylamino)ethyl]oxolan-2-one?
The canonical SMILES for 3-methyl-5-[1-(phosphanylamino)ethyl]oxolan-2-one is CC1CC(C(C)NP)OC1=O.
What is the InChIKey of 3-methyl-5-[1-(phosphanylamino)ethyl]oxolan-2-one?
The InChIKey is RVFFVRPFXZIRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14NO2P/c1-4-3-6(5(2)8-11)10-7(4)9/h4-6,8H,3,11H2,1-2H3.
What are the key properties of 3-methyl-5-[1-(phosphanylamino)ethyl]oxolan-2-one?
3-methyl-5-[1-(phosphanylamino)ethyl]oxolan-2-one has a molecular weight of 175.17 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[1-(phosphanylamino)ethyl]oxolan-2-one is sourced from PubChem (CID 21062054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).