[3-(hydroxymethyl)-4-methoxyiminopyrrolidin-3-yl]methanol

C7H14N2O3 — CID 123988142

IUPAC[3-(hydroxymethyl)-4-methoxyiminopyrrolidin-3-yl]methanol
SMILESCON=C1CNCC1(CO)CO
InChIInChI=1S/C7H14N2O3/c1-12-9-6-2-8-3-7(6,4-10)5-11/h8,10-11H,2-5H2,1H3
InChIKeyUYLFRMJDAVFMFS-UHFFFAOYSA-N
MW174.20 g/mol
LogP-1.44
Rot. Bonds3

About [3-(hydroxymethyl)-4-methoxyiminopyrrolidin-3-yl]methanol

[3-(hydroxymethyl)-4-methoxyiminopyrrolidin-3-yl]methanol (PubChem CID 123988142) has the molecular formula C7H14N2O3 and a molecular weight of 174.20 g/mol. Its IUPAC name is [3-(hydroxymethyl)-4-methoxyiminopyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[3-(hydroxymethyl)-4-methoxyiminopyrrolidin-3-yl]methanol
PubChem CID123988142
Molecular FormulaC7H14N2O3
Molecular Weight174.20 g/mol
Exact Mass174.10
IUPAC Name[3-(hydroxymethyl)-4-methoxyiminopyrrolidin-3-yl]methanol
SMILESCON=C1CNCC1(CO)CO
InChIInChI=1S/C7H14N2O3/c1-12-9-6-2-8-3-7(6,4-10)5-11/h8,10-11H,2-5H2,1H3
InChIKeyUYLFRMJDAVFMFS-UHFFFAOYSA-N
XLogP-1.44
TPSA74.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-5-methoxyimino-2,7-diazaspiro[3.4]octane-2-carboxylic acid
CID 173242472
4-(azidomethyl)-N-methoxy-4-methylpyrrolidin-3-imine
CID 142628210
(3E)-3-methoxyimino-4-methylpiperidin-4-amine;dihydrochloride
CID 53305610
methanesulfonic acid;2,2,2-trifluoro-1-(5-methoxyimino-2,7-diazaspiro[3.4]octan-2-yl)ethanone
CID 118524699
4-ethoxyimino-3-methylpyrrolidin-3-amine
CID 141348399
(2E)-2-methoxyiminobicyclo[2.2.1]heptane-1-carboxylic acid
CID 102568381
4,4-dimethoxy-3-methoxyiminopiperidine-1-carboxylic acid
CID 173103680
N-ethoxyazetidin-3-imine
CID 137451087
methanesulfonic acid;pentakis((4-methoxyiminopyrrolidin-3-yl)methanamine)
CID 173166840
(3Z)-3-methoxyiminopiperidin-4-amine
CID 55284082
N-propoxyazetidin-3-imine
CID 171507846
1-N,5-N-dimethoxycyclooctane-1,5-diimine
CID 10750478

Frequently Asked Questions

What is the IUPAC name of [3-(hydroxymethyl)-4-methoxyiminopyrrolidin-3-yl]methanol?
The IUPAC name of [3-(hydroxymethyl)-4-methoxyiminopyrrolidin-3-yl]methanol (CID 123988142) is [3-(hydroxymethyl)-4-methoxyiminopyrrolidin-3-yl]methanol.
What is the SMILES notation for [3-(hydroxymethyl)-4-methoxyiminopyrrolidin-3-yl]methanol?
The canonical SMILES for [3-(hydroxymethyl)-4-methoxyiminopyrrolidin-3-yl]methanol is CON=C1CNCC1(CO)CO.
What is the InChIKey of [3-(hydroxymethyl)-4-methoxyiminopyrrolidin-3-yl]methanol?
The InChIKey is UYLFRMJDAVFMFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O3/c1-12-9-6-2-8-3-7(6,4-10)5-11/h8,10-11H,2-5H2,1H3.
What are the key properties of [3-(hydroxymethyl)-4-methoxyiminopyrrolidin-3-yl]methanol?
[3-(hydroxymethyl)-4-methoxyiminopyrrolidin-3-yl]methanol has a molecular weight of 174.20 g/mol, XLogP of -1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(hydroxymethyl)-4-methoxyiminopyrrolidin-3-yl]methanol is sourced from PubChem (CID 123988142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).