1,2,3,6-tetrahydropyridin-5-ylmethoxymethanimidoyl chloride

C7H11ClN2O — CID 18960954

IUPAC1,2,3,6-tetrahydropyridin-5-ylmethoxymethanimidoyl chloride
SMILES[H]/N=C(\Cl)OCC1=CCCNC1
InChIInChI=1S/C7H11ClN2O/c8-7(9)11-5-6-2-1-3-10-4-6/h2,9-10H,1,3-5H2/b9-7+
InChIKeyUYOIVMATAPUVBA-VQHVLOKHSA-N
MW174.63 g/mol
LogP1.10
Rot. Bonds2

About 1,2,3,6-tetrahydropyridin-5-ylmethoxymethanimidoyl chloride

1,2,3,6-tetrahydropyridin-5-ylmethoxymethanimidoyl chloride (PubChem CID 18960954) has the molecular formula C7H11ClN2O and a molecular weight of 174.63 g/mol. Its IUPAC name is 1,2,3,6-tetrahydropyridin-5-ylmethoxymethanimidoyl chloride.

Molecular Properties

Compound Name1,2,3,6-tetrahydropyridin-5-ylmethoxymethanimidoyl chloride
PubChem CID18960954
Molecular FormulaC7H11ClN2O
Molecular Weight174.63 g/mol
Exact Mass174.06
IUPAC Name1,2,3,6-tetrahydropyridin-5-ylmethoxymethanimidoyl chloride
SMILES[H]/N=C(\Cl)OCC1=CCCNC1
InChIInChI=1S/C7H11ClN2O/c8-7(9)11-5-6-2-1-3-10-4-6/h2,9-10H,1,3-5H2/b9-7+
InChIKeyUYOIVMATAPUVBA-VQHVLOKHSA-N
XLogP1.10
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(Methoxymethyl)-1,2,3,6-tetrahydropyridine hydrochloride
CID 75481406
1,2,3,6-Tetrahydropyridin-5-ylmethoxymethanimidoyl fluoride
CID 18960966
(6-Hydroxy-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl chloride
CID 53868044
(6-Methyl-1,2,3,6-tetrahydropyridin-5-yl)methoxymethanimidoyl chloride
CID 54523476
1,1-dichloro-N-(1,2,3,6-tetrahydropyridin-5-ylmethoxy)methanimine
CID 140371586
5-(Methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716074
5-(Ethoxymethyl)-1,2,3,6-tetrahydropyridine
CID 84716252
N-(3,6-dihydro-2H-pyran-5-ylmethyl)ethanamine
CID 115674359
2-chloro-N-(3,6-dihydro-2H-pyran-5-ylmethyl)prop-2-en-1-amine
CID 115742132
O-(1,2,3,6-tetrahydropyridin-5-ylmethyl)hydroxylamine
CID 117206004
3-Chloro-5-(methoxymethyl)-1,2,3,6-tetrahydropyridine
CID 165452270
5-(Methoxymethyl)-1,2,3,6-tetrahydropyridin-3-amine
CID 165748815

Frequently Asked Questions

What is the IUPAC name of 1,2,3,6-tetrahydropyridin-5-ylmethoxymethanimidoyl chloride?
The IUPAC name of 1,2,3,6-tetrahydropyridin-5-ylmethoxymethanimidoyl chloride (CID 18960954) is 1,2,3,6-tetrahydropyridin-5-ylmethoxymethanimidoyl chloride.
What is the SMILES notation for 1,2,3,6-tetrahydropyridin-5-ylmethoxymethanimidoyl chloride?
The canonical SMILES for 1,2,3,6-tetrahydropyridin-5-ylmethoxymethanimidoyl chloride is [H]/N=C(\Cl)OCC1=CCCNC1.
What is the InChIKey of 1,2,3,6-tetrahydropyridin-5-ylmethoxymethanimidoyl chloride?
The InChIKey is UYOIVMATAPUVBA-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H11ClN2O/c8-7(9)11-5-6-2-1-3-10-4-6/h2,9-10H,1,3-5H2/b9-7+.
What are the key properties of 1,2,3,6-tetrahydropyridin-5-ylmethoxymethanimidoyl chloride?
1,2,3,6-tetrahydropyridin-5-ylmethoxymethanimidoyl chloride has a molecular weight of 174.63 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,6-tetrahydropyridin-5-ylmethoxymethanimidoyl chloride is sourced from PubChem (CID 18960954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).