[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-propylpyrrolidin-2-yl)methanone

C15H26N2O2 — CID 106975865

IUPAC[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)N2CC=C(COC)CC2)CCCN1
InChIInChI=1S/C15H26N2O2/c1-3-7-15(8-4-9-16-15)14(18)17-10-5-13(6-11-17)12-19-2/h5,16H,3-4,6-12H2,1-2H3
InChIKeyVZBIREATDLCJNC-UHFFFAOYSA-N
MW266.38 g/mol
LogP1.71
Rot. Bonds5

About [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-propylpyrrolidin-2-yl)methanone

[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-propylpyrrolidin-2-yl)methanone (PubChem CID 106975865) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-propylpyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-propylpyrrolidin-2-yl)methanone
PubChem CID106975865
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-propylpyrrolidin-2-yl)methanone
SMILESCCCC1(C(=O)N2CC=C(COC)CC2)CCCN1
InChIInChI=1S/C15H26N2O2/c1-3-7-15(8-4-9-16-15)14(18)17-10-5-13(6-11-17)12-19-2/h5,16H,3-4,6-12H2,1-2H3
InChIKeyVZBIREATDLCJNC-UHFFFAOYSA-N
XLogP1.71
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-propylpyrrolidin-2-yl)methanone?
The IUPAC name of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-propylpyrrolidin-2-yl)methanone (CID 106975865) is [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-propylpyrrolidin-2-yl)methanone.
What is the SMILES notation for [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-propylpyrrolidin-2-yl)methanone?
The canonical SMILES for [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-propylpyrrolidin-2-yl)methanone is CCCC1(C(=O)N2CC=C(COC)CC2)CCCN1.
What is the InChIKey of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-propylpyrrolidin-2-yl)methanone?
The InChIKey is VZBIREATDLCJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-7-15(8-4-9-16-15)14(18)17-10-5-13(6-11-17)12-19-2/h5,16H,3-4,6-12H2,1-2H3.
What are the key properties of [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-propylpyrrolidin-2-yl)methanone?
[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-propylpyrrolidin-2-yl)methanone has a molecular weight of 266.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]-(2-propylpyrrolidin-2-yl)methanone is sourced from PubChem (CID 106975865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).