2-[(E)-[(2R)-pyrrolidin-2-yl]methylideneamino]oxypropan-2-ol

C8H16N2O2 — CID 173290051

IUPAC2-[(E)-[(2R)-pyrrolidin-2-yl]methylideneamino]oxypropan-2-ol
SMILESCC(C)(O)O/N=C/[C@H]1CCCN1
InChIInChI=1S/C8H16N2O2/c1-8(2,11)12-10-6-7-4-3-5-9-7/h6-7,9,11H,3-5H2,1-2H3/b10-6+/t7-/m1/s1
InChIKeyLDWQBAVGZLASGL-VSUWBIFXSA-N
MW172.23 g/mol
LogP0.47
Rot. Bonds3

About 2-[(E)-[(2R)-pyrrolidin-2-yl]methylideneamino]oxypropan-2-ol

2-[(E)-[(2R)-pyrrolidin-2-yl]methylideneamino]oxypropan-2-ol (PubChem CID 173290051) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 2-[(E)-[(2R)-pyrrolidin-2-yl]methylideneamino]oxypropan-2-ol.

Molecular Properties

Compound Name2-[(E)-[(2R)-pyrrolidin-2-yl]methylideneamino]oxypropan-2-ol
PubChem CID173290051
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name2-[(E)-[(2R)-pyrrolidin-2-yl]methylideneamino]oxypropan-2-ol
SMILESCC(C)(O)O/N=C/[C@H]1CCCN1
InChIInChI=1S/C8H16N2O2/c1-8(2,11)12-10-6-7-4-3-5-9-7/h6-7,9,11H,3-5H2,1-2H3/b10-6+/t7-/m1/s1
InChIKeyLDWQBAVGZLASGL-VSUWBIFXSA-N
XLogP0.47
TPSA53.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 50.47
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(Z)-1-piperidin-2-yl-N-propan-2-yloxymethanimine
CID 58684347
(NZ)-N-(piperidin-2-ylmethylidene)hydroxylamine
CID 6332583
[[(2R)-pyrrolidin-2-yl]methylideneamino]urea
CID 130912881
tert-butyl carbamate;methanol;pyrrolidine-2-carbaldehyde
CID 171093384
ethane;(2R)-pyrrolidine-2-carbaldehyde
CID 177324827
2-[(2R)-pyrrolidin-2-yl]propan-2-ol
CID 12732175
(1R)-2,2-dimethyl-1-[(2R)-pyrrolidin-2-yl]propan-1-ol
CID 92979517
2,2-dimethyl-1-[(2S)-pyrrolidin-2-yl]propan-1-ol
CID 164661994
(2R)-2-(2,2-dibromoethenyl)pyrrolidine
CID 14730329
N-[2-(2-methoxyphenyl)ethyl]-1-pyrrolidin-2-ylmethanimine
CID 90457832
1-chloro-1-pyrrolidin-2-ylethanol
CID 126542181
tert-butyl formate;piperidine-2-carbaldehyde
CID 161184138

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(2R)-pyrrolidin-2-yl]methylideneamino]oxypropan-2-ol?
The IUPAC name of 2-[(E)-[(2R)-pyrrolidin-2-yl]methylideneamino]oxypropan-2-ol (CID 173290051) is 2-[(E)-[(2R)-pyrrolidin-2-yl]methylideneamino]oxypropan-2-ol.
What is the SMILES notation for 2-[(E)-[(2R)-pyrrolidin-2-yl]methylideneamino]oxypropan-2-ol?
The canonical SMILES for 2-[(E)-[(2R)-pyrrolidin-2-yl]methylideneamino]oxypropan-2-ol is CC(C)(O)O/N=C/[C@H]1CCCN1.
What is the InChIKey of 2-[(E)-[(2R)-pyrrolidin-2-yl]methylideneamino]oxypropan-2-ol?
The InChIKey is LDWQBAVGZLASGL-VSUWBIFXSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-8(2,11)12-10-6-7-4-3-5-9-7/h6-7,9,11H,3-5H2,1-2H3/b10-6+/t7-/m1/s1.
What are the key properties of 2-[(E)-[(2R)-pyrrolidin-2-yl]methylideneamino]oxypropan-2-ol?
2-[(E)-[(2R)-pyrrolidin-2-yl]methylideneamino]oxypropan-2-ol has a molecular weight of 172.23 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(2R)-pyrrolidin-2-yl]methylideneamino]oxypropan-2-ol is sourced from PubChem (CID 173290051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).