(1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol

C11H20N2O2 — CID 177492712

IUPAC(1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol
SMILESC=CCC(O)/C=N/N1CCCC1COC
InChIInChI=1S/C11H20N2O2/c1-3-5-11(14)8-12-13-7-4-6-10(13)9-15-2/h3,8,10-11,14H,1,4-7,9H2,2H3/b12-8+
InChIKeyPIKWXPJKJLCTFB-XYOKQWHBSA-N
MW212.29 g/mol
LogP1.02
Rot. Bonds6

About (1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol

(1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol (PubChem CID 177492712) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol.

Molecular Properties

Compound Name(1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol
PubChem CID177492712
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol
SMILESC=CCC(O)/C=N/N1CCCC1COC
InChIInChI=1S/C11H20N2O2/c1-3-5-11(14)8-12-13-7-4-6-10(13)9-15-2/h3,8,10-11,14H,1,4-7,9H2,2H3/b12-8+
InChIKeyPIKWXPJKJLCTFB-XYOKQWHBSA-N
XLogP1.02
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-N,N'-bis[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]pentane-1,5-diimine
CID 10892701
[(1E)-1-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]imino-3-methylbutan-2-yl] acetate
CID 10978077
(E,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-phenylmethoxypropan-1-imine
CID 10956776
(E,2S)-2-benzylsulfanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propan-1-imine
CID 177438827
(Z,2S)-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methyl-3-phenylpropan-1-imine
CID 135050661
N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-triethylsilylethanimine
CID 23241582
(E,2S)-3-(4-bromophenyl)-2-tert-butylsulfanyl-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]propan-1-imine
CID 11165857
N-[2-(methoxymethyl)pyrrolidin-1-yl]pentan-2-imine
CID 71323940
(E)-N-[2-(methoxymethyl)pyrrolidin-1-yl]butan-2-imine
CID 13198371
(E,2R)-2-[tert-butyl(dimethyl)silyl]-N-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-phenylpropan-1-imine
CID 15971722
(E,6E,8E)-N-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]deca-6,8-dien-1-imine
CID 177391876
(E)-2-methoxy-N-[(2S)-2-(2-methoxyethoxymethyl)pyrrolidin-1-yl]ethanimine
CID 11128124

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol?
The IUPAC name of (1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol (CID 177492712) is (1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol.
What is the SMILES notation for (1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol?
The canonical SMILES for (1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol is C=CCC(O)/C=N/N1CCCC1COC.
What is the InChIKey of (1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol?
The InChIKey is PIKWXPJKJLCTFB-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-5-11(14)8-12-13-7-4-6-10(13)9-15-2/h3,8,10-11,14H,1,4-7,9H2,2H3/b12-8+.
What are the key properties of (1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol?
(1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol has a molecular weight of 212.29 g/mol, XLogP of 1.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[2-(methoxymethyl)pyrrolidin-1-yl]iminopent-4-en-2-ol is sourced from PubChem (CID 177492712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).