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

C11H17NO2 — CID 114390121

IUPACcyclopropyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOCC1=CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C11H17NO2/c1-14-8-9-4-6-12(7-5-9)11(13)10-2-3-10/h4,10H,2-3,5-8H2,1H3
InChIKeyZHRDAVXCFIKZGM-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.20
Rot. Bonds3

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

cyclopropyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 114390121) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is cyclopropyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
PubChem CID114390121
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Namecyclopropyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
SMILESCOCC1=CCN(C(=O)C2CC2)CC1
InChIInChI=1S/C11H17NO2/c1-14-8-9-4-6-12(7-5-9)11(13)10-2-3-10/h4,10H,2-3,5-8H2,1H3
InChIKeyZHRDAVXCFIKZGM-UHFFFAOYSA-N
XLogP1.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 cyclopropyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 114390121) is cyclopropyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is COCC1=CCN(C(=O)C2CC2)CC1.
What is the InChIKey of cyclopropyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
The InChIKey is ZHRDAVXCFIKZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-14-8-9-4-6-12(7-5-9)11(13)10-2-3-10/h4,10H,2-3,5-8H2,1H3.
What are the key properties of cyclopropyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?
cyclopropyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 195.26 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(methoxymethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 114390121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).