ethane;4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine

C11H21NO — CID 156737443

IUPACethane;4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine
SMILESCC.CC1=CCN(C2COC2)CC1
InChIInChI=1S/C9H15NO.C2H6/c1-8-2-4-10(5-3-8)9-6-11-7-9;1-2/h2,9H,3-7H2,1H3;1-2H3
InChIKeyDNPBRBYHISTOFX-UHFFFAOYSA-N
MW183.30 g/mol
LogP2.06
Rot. Bonds1

About ethane;4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine

ethane;4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine (PubChem CID 156737443) has the molecular formula C11H21NO and a molecular weight of 183.30 g/mol. Its IUPAC name is ethane;4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Nameethane;4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine
PubChem CID156737443
Molecular FormulaC11H21NO
Molecular Weight183.30 g/mol
Exact Mass183.16
IUPAC Nameethane;4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine
SMILESCC.CC1=CCN(C2COC2)CC1
InChIInChI=1S/C9H15NO.C2H6/c1-8-2-4-10(5-3-8)9-6-11-7-9;1-2/h2,9H,3-7H2,1H3;1-2H3
InChIKeyDNPBRBYHISTOFX-UHFFFAOYSA-N
XLogP2.06
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.30
LogP ≤ 52.06
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 ethane;4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine?
The IUPAC name of ethane;4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine (CID 156737443) is ethane;4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for ethane;4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for ethane;4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine is CC.CC1=CCN(C2COC2)CC1.
What is the InChIKey of ethane;4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine?
The InChIKey is DNPBRBYHISTOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO.C2H6/c1-8-2-4-10(5-3-8)9-6-11-7-9;1-2/h2,9H,3-7H2,1H3;1-2H3.
What are the key properties of ethane;4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine?
ethane;4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine has a molecular weight of 183.30 g/mol, XLogP of 2.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-methyl-1-(oxetan-3-yl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 156737443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).