3-[2-(aminophosphanylideneamino)-3,3-dimethoxypropyl]pyrrolidin-2-one

C9H18N3O3P — CID 22976957

IUPAC3-[2-(aminophosphanylideneamino)-3,3-dimethoxypropyl]pyrrolidin-2-one
SMILESCOC(OC)C(CC1CCNC1=O)/N=P/N
InChIInChI=1S/C9H18N3O3P/c1-14-9(15-2)7(12-16-10)5-6-3-4-11-8(6)13/h6-7,9H,3-5H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyJGHAJKZIBHXSOH-UHFFFAOYSA-N
MW247.23 g/mol
LogP0.50
Rot. Bonds6

About 3-[2-(aminophosphanylideneamino)-3,3-dimethoxypropyl]pyrrolidin-2-one

3-[2-(aminophosphanylideneamino)-3,3-dimethoxypropyl]pyrrolidin-2-one (PubChem CID 22976957) has the molecular formula C9H18N3O3P and a molecular weight of 247.23 g/mol. Its IUPAC name is 3-[2-(aminophosphanylideneamino)-3,3-dimethoxypropyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-[2-(aminophosphanylideneamino)-3,3-dimethoxypropyl]pyrrolidin-2-one
PubChem CID22976957
Molecular FormulaC9H18N3O3P
Molecular Weight247.23 g/mol
Exact Mass247.11
IUPAC Name3-[2-(aminophosphanylideneamino)-3,3-dimethoxypropyl]pyrrolidin-2-one
SMILESCOC(OC)C(CC1CCNC1=O)/N=P/N
InChIInChI=1S/C9H18N3O3P/c1-14-9(15-2)7(12-16-10)5-6-3-4-11-8(6)13/h6-7,9H,3-5H2,1-2H3,(H2,10,12)(H,11,13)
InChIKeyJGHAJKZIBHXSOH-UHFFFAOYSA-N
XLogP0.50
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-[(2S)-2-amino-3-methoxypropyl]pyrrolidin-2-one
CID 170008578
3-(2-aminopropyl)pyrrolidin-2-one
CID 82651299
methyl (2S)-2-(aminoiodanuidylmethyl)-3-[(3R)-2-oxopyrrolidin-3-yl]propanoate
CID 162479060
3-(3-fluoro-2-hydroxypropyl)pyrrolidin-2-one
CID 130843908
methanesulfonic acid;methyl (2S)-2-amino-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 163323578
(3R)-3-[(2S)-2-methylbut-3-enyl]pyrrolidin-2-one
CID 163537974
3-[2-(oxidoamino)propyl]pyrrolidin-2-one
CID 176958706
2-amino-3-(2-oxopyrrolidin-3-yl)propanamide
CID 166112267
(3S)-3-[(2S)-2-aminobut-3-ynyl]pyrrolidin-2-one
CID 162695973
3-[2-(methylamino)-2-(propan-2-ylamino)ethyl]pyrrolidin-2-one
CID 176958856
3-(2-aminobut-3-ynyl)pyrrolidin-2-one;methanol
CID 171843230
methyl 2-(2,2-dimethylpropanoylamino)-3-[(3S)-2-oxopyrrolidin-3-yl]propanoate
CID 175531737

Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminophosphanylideneamino)-3,3-dimethoxypropyl]pyrrolidin-2-one?
The IUPAC name of 3-[2-(aminophosphanylideneamino)-3,3-dimethoxypropyl]pyrrolidin-2-one (CID 22976957) is 3-[2-(aminophosphanylideneamino)-3,3-dimethoxypropyl]pyrrolidin-2-one.
What is the SMILES notation for 3-[2-(aminophosphanylideneamino)-3,3-dimethoxypropyl]pyrrolidin-2-one?
The canonical SMILES for 3-[2-(aminophosphanylideneamino)-3,3-dimethoxypropyl]pyrrolidin-2-one is COC(OC)C(CC1CCNC1=O)/N=P/N.
What is the InChIKey of 3-[2-(aminophosphanylideneamino)-3,3-dimethoxypropyl]pyrrolidin-2-one?
The InChIKey is JGHAJKZIBHXSOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N3O3P/c1-14-9(15-2)7(12-16-10)5-6-3-4-11-8(6)13/h6-7,9H,3-5H2,1-2H3,(H2,10,12)(H,11,13).
What are the key properties of 3-[2-(aminophosphanylideneamino)-3,3-dimethoxypropyl]pyrrolidin-2-one?
3-[2-(aminophosphanylideneamino)-3,3-dimethoxypropyl]pyrrolidin-2-one has a molecular weight of 247.23 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminophosphanylideneamino)-3,3-dimethoxypropyl]pyrrolidin-2-one is sourced from PubChem (CID 22976957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).