(1-methyl-3,6-dihydro-2H-pyridin-4-yl) formate

C7H11NO2 — CID 18446239

IUPAC(1-methyl-3,6-dihydro-2H-pyridin-4-yl) formate
SMILESCN1CC=C(OC=O)CC1
InChIInChI=1S/C7H11NO2/c1-8-4-2-7(3-5-8)10-6-9/h2,6H,3-5H2,1H3
InChIKeyOLTPBBOPBXJNOX-UHFFFAOYSA-N
MW141.17 g/mol
LogP0.38
Rot. Bonds2

About (1-methyl-3,6-dihydro-2H-pyridin-4-yl) formate

(1-methyl-3,6-dihydro-2H-pyridin-4-yl) formate (PubChem CID 18446239) has the molecular formula C7H11NO2 and a molecular weight of 141.17 g/mol. Its IUPAC name is (1-methyl-3,6-dihydro-2H-pyridin-4-yl) formate.

Molecular Properties

Compound Name(1-methyl-3,6-dihydro-2H-pyridin-4-yl) formate
PubChem CID18446239
Molecular FormulaC7H11NO2
Molecular Weight141.17 g/mol
Exact Mass141.08
IUPAC Name(1-methyl-3,6-dihydro-2H-pyridin-4-yl) formate
SMILESCN1CC=C(OC=O)CC1
InChIInChI=1S/C7H11NO2/c1-8-4-2-7(3-5-8)10-6-9/h2,6H,3-5H2,1H3
InChIKeyOLTPBBOPBXJNOX-UHFFFAOYSA-N
XLogP0.38
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (1-methyl-3,6-dihydro-2H-pyridin-4-yl) formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-4-yl) formate?
The IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-4-yl) formate (CID 18446239) is (1-methyl-3,6-dihydro-2H-pyridin-4-yl) formate.
What is the SMILES notation for (1-methyl-3,6-dihydro-2H-pyridin-4-yl) formate?
The canonical SMILES for (1-methyl-3,6-dihydro-2H-pyridin-4-yl) formate is CN1CC=C(OC=O)CC1.
What is the InChIKey of (1-methyl-3,6-dihydro-2H-pyridin-4-yl) formate?
The InChIKey is OLTPBBOPBXJNOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO2/c1-8-4-2-7(3-5-8)10-6-9/h2,6H,3-5H2,1H3.
What are the key properties of (1-methyl-3,6-dihydro-2H-pyridin-4-yl) formate?
(1-methyl-3,6-dihydro-2H-pyridin-4-yl) formate has a molecular weight of 141.17 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,6-dihydro-2H-pyridin-4-yl) formate is sourced from PubChem (CID 18446239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).