1-(1-aminooxyphosphanylidene-3,3-dimethylbutyl)pyrrolidin-3-ol

C10H21N2O2P — CID 171105480

IUPAC1-(1-aminooxyphosphanylidene-3,3-dimethylbutyl)pyrrolidin-3-ol
SMILESCC(C)(C)C/C(=P\ON)N1CCC(O)C1
InChIInChI=1S/C10H21N2O2P/c1-10(2,3)6-9(15-14-11)12-5-4-8(13)7-12/h8,13H,4-7,11H2,1-3H3
InChIKeyIGWMOQXHIXMXJD-UHFFFAOYSA-N
MW232.26 g/mol
LogP1.37
Rot. Bonds3

About 1-(1-aminooxyphosphanylidene-3,3-dimethylbutyl)pyrrolidin-3-ol

1-(1-aminooxyphosphanylidene-3,3-dimethylbutyl)pyrrolidin-3-ol (PubChem CID 171105480) has the molecular formula C10H21N2O2P and a molecular weight of 232.26 g/mol. Its IUPAC name is 1-(1-aminooxyphosphanylidene-3,3-dimethylbutyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(1-aminooxyphosphanylidene-3,3-dimethylbutyl)pyrrolidin-3-ol
PubChem CID171105480
Molecular FormulaC10H21N2O2P
Molecular Weight232.26 g/mol
Exact Mass232.13
IUPAC Name1-(1-aminooxyphosphanylidene-3,3-dimethylbutyl)pyrrolidin-3-ol
SMILESCC(C)(C)C/C(=P\ON)N1CCC(O)C1
InChIInChI=1S/C10H21N2O2P/c1-10(2,3)6-9(15-14-11)12-5-4-8(13)7-12/h8,13H,4-7,11H2,1-3H3
InChIKeyIGWMOQXHIXMXJD-UHFFFAOYSA-N
XLogP1.37
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 62918429
potassium;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;methanolate
CID 155707609
ethane;ethenamine;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one
CID 157028597
ethane;1-[(3R)-3-hydroxypyrrolidin-1-yl]-3,3-dimethylbutan-1-one;N-methylmethanamine
CID 153375524
3-amino-1-(3-hydroxypyrrolidin-1-yl)-3-methylbutan-1-one
CID 64679140
1-(4,4-dimethylpent-1-en-2-yl)pyrrolidin-3-ol;methyl(methylidyne)phosphanium
CID 170976675
ethane;formamide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;N-methylmethanamine
CID 171073112
potassium;azanide;1-(3-hydroxypyrrolidin-1-yl)-3,3-dimethylbutan-1-one;prop-1-ene
CID 176931826
5,5-dimethylhexyl (3R)-3-hydroxypyrrolidine-1-carboxylate
CID 69001504
ethane;ethyl 3-hydroxypyrrolidine-1-carboxylate
CID 162757554
tert-butyl (3R)-3-hydroxypyrrolidine-1-carboxylate;methanol
CID 145288050
ethyl 2-(3-hydroxypyrrolidine-1-carbonyl)-3,3-dimethylbutanoate
CID 116538028

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminooxyphosphanylidene-3,3-dimethylbutyl)pyrrolidin-3-ol?
The IUPAC name of 1-(1-aminooxyphosphanylidene-3,3-dimethylbutyl)pyrrolidin-3-ol (CID 171105480) is 1-(1-aminooxyphosphanylidene-3,3-dimethylbutyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(1-aminooxyphosphanylidene-3,3-dimethylbutyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(1-aminooxyphosphanylidene-3,3-dimethylbutyl)pyrrolidin-3-ol is CC(C)(C)C/C(=P\ON)N1CCC(O)C1.
What is the InChIKey of 1-(1-aminooxyphosphanylidene-3,3-dimethylbutyl)pyrrolidin-3-ol?
The InChIKey is IGWMOQXHIXMXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N2O2P/c1-10(2,3)6-9(15-14-11)12-5-4-8(13)7-12/h8,13H,4-7,11H2,1-3H3.
What are the key properties of 1-(1-aminooxyphosphanylidene-3,3-dimethylbutyl)pyrrolidin-3-ol?
1-(1-aminooxyphosphanylidene-3,3-dimethylbutyl)pyrrolidin-3-ol has a molecular weight of 232.26 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminooxyphosphanylidene-3,3-dimethylbutyl)pyrrolidin-3-ol is sourced from PubChem (CID 171105480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).