5-[1-(diphosphanylamino)ethyl]-3-methyloxolan-2-one

C7H15NO2P2 — CID 20601494

IUPAC5-[1-(diphosphanylamino)ethyl]-3-methyloxolan-2-one
SMILESCC1CC(C(C)NPP)OC1=O
InChIInChI=1S/C7H15NO2P2/c1-4-3-6(10-7(4)9)5(2)8-12-11/h4-6,8,12H,3,11H2,1-2H3
InChIKeyAVNDWCZXROECGR-UHFFFAOYSA-N
MW207.15 g/mol
LogP1.30
Rot. Bonds3

About 5-[1-(diphosphanylamino)ethyl]-3-methyloxolan-2-one

5-[1-(diphosphanylamino)ethyl]-3-methyloxolan-2-one (PubChem CID 20601494) has the molecular formula C7H15NO2P2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 5-[1-(diphosphanylamino)ethyl]-3-methyloxolan-2-one.

Molecular Properties

Compound Name5-[1-(diphosphanylamino)ethyl]-3-methyloxolan-2-one
PubChem CID20601494
Molecular FormulaC7H15NO2P2
Molecular Weight207.15 g/mol
Exact Mass207.06
IUPAC Name5-[1-(diphosphanylamino)ethyl]-3-methyloxolan-2-one
SMILESCC1CC(C(C)NPP)OC1=O
InChIInChI=1S/C7H15NO2P2/c1-4-3-6(10-7(4)9)5(2)8-12-11/h4-6,8,12H,3,11H2,1-2H3
InChIKeyAVNDWCZXROECGR-UHFFFAOYSA-N
XLogP1.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(1-Amino-2,2,2-trifluoroethyl)-4-methyloxolan-2-one
CID 129996200
(4R,5R)-5-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-methyloxolan-2-one
CID 130984888
5-(1-Aminoethyl)-3-methyloxolan-2-one
CID 20726918
5-(1-Aminoethyl)oxolan-2-one
CID 55289249
(3R,5S)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
CID 58714848
(3R,5R)-3-methyl-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
CID 58714916
(3R)-5-[1-(diphosphanylamino)ethyl]-3-methyloxolan-2-one
CID 59977169
(5R)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
CID 141916482
(5S)-5-[(1S)-1-(phosphanylamino)ethyl]oxolan-2-one
CID 154534304
3-Methyl-5-[1-(phosphanylamino)ethyl]oxolan-2-one
CID 21062054
(5R)-5-[(1R)-1-aminoethyl]oxolan-2-one
CID 55284209
(5S)-5-[(1S)-1-aminoethyl]oxolan-2-one
CID 130757519

Frequently Asked Questions

What is the IUPAC name of 5-[1-(diphosphanylamino)ethyl]-3-methyloxolan-2-one?
The IUPAC name of 5-[1-(diphosphanylamino)ethyl]-3-methyloxolan-2-one (CID 20601494) is 5-[1-(diphosphanylamino)ethyl]-3-methyloxolan-2-one.
What is the SMILES notation for 5-[1-(diphosphanylamino)ethyl]-3-methyloxolan-2-one?
The canonical SMILES for 5-[1-(diphosphanylamino)ethyl]-3-methyloxolan-2-one is CC1CC(C(C)NPP)OC1=O.
What is the InChIKey of 5-[1-(diphosphanylamino)ethyl]-3-methyloxolan-2-one?
The InChIKey is AVNDWCZXROECGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2P2/c1-4-3-6(10-7(4)9)5(2)8-12-11/h4-6,8,12H,3,11H2,1-2H3.
What are the key properties of 5-[1-(diphosphanylamino)ethyl]-3-methyloxolan-2-one?
5-[1-(diphosphanylamino)ethyl]-3-methyloxolan-2-one has a molecular weight of 207.15 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(diphosphanylamino)ethyl]-3-methyloxolan-2-one is sourced from PubChem (CID 20601494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).