[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate

C10H16N2O2 — CID 54494276

IUPAC[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate
SMILESCC(=O)ON=CCC1=CCCN(C)C1
InChIInChI=1S/C10H16N2O2/c1-9(13)14-11-6-5-10-4-3-7-12(2)8-10/h4,6H,3,5,7-8H2,1-2H3
InChIKeyXXYNQSNGJUYHOV-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.19
Rot. Bonds3

About [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate

[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate (PubChem CID 54494276) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate.

Molecular Properties

Compound Name[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate
PubChem CID54494276
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate
SMILESCC(=O)ON=CCC1=CCCN(C)C1
InChIInChI=1S/C10H16N2O2/c1-9(13)14-11-6-5-10-4-3-7-12(2)8-10/h4,6H,3,5,7-8H2,1-2H3
InChIKeyXXYNQSNGJUYHOV-UHFFFAOYSA-N
XLogP1.19
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate?
The IUPAC name of [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate (CID 54494276) is [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate.
What is the SMILES notation for [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate?
The canonical SMILES for [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate is CC(=O)ON=CCC1=CCCN(C)C1.
What is the InChIKey of [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate?
The InChIKey is XXYNQSNGJUYHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-9(13)14-11-6-5-10-4-3-7-12(2)8-10/h4,6H,3,5,7-8H2,1-2H3.
What are the key properties of [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate?
[2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate has a molecular weight of 196.25 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)ethylideneamino] acetate is sourced from PubChem (CID 54494276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).