ethane;1-hydroxy-5-methyl-3,6-dihydro-2H-pyridine

C8H17NO — CID 142290952

IUPACethane;1-hydroxy-5-methyl-3,6-dihydro-2H-pyridine
SMILESCC.CC1=CCCN(O)C1
InChIInChI=1S/C6H11NO.C2H6/c1-6-3-2-4-7(8)5-6;1-2/h3,8H,2,4-5H2,1H3;1-2H3
InChIKeyDGYBYIQIABXAJF-UHFFFAOYSA-N
MW143.23 g/mol
LogP2.05
Rot. Bonds

About ethane;1-hydroxy-5-methyl-3,6-dihydro-2H-pyridine

ethane;1-hydroxy-5-methyl-3,6-dihydro-2H-pyridine (PubChem CID 142290952) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is ethane;1-hydroxy-5-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Nameethane;1-hydroxy-5-methyl-3,6-dihydro-2H-pyridine
PubChem CID142290952
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nameethane;1-hydroxy-5-methyl-3,6-dihydro-2H-pyridine
SMILESCC.CC1=CCCN(O)C1
InChIInChI=1S/C6H11NO.C2H6/c1-6-3-2-4-7(8)5-6;1-2/h3,8H,2,4-5H2,1H3;1-2H3
InChIKeyDGYBYIQIABXAJF-UHFFFAOYSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.05
H-Bond Donors ≤ 51
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;1-hydroxy-5-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of ethane;1-hydroxy-5-methyl-3,6-dihydro-2H-pyridine (CID 142290952) is ethane;1-hydroxy-5-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for ethane;1-hydroxy-5-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for ethane;1-hydroxy-5-methyl-3,6-dihydro-2H-pyridine is CC.CC1=CCCN(O)C1.
What is the InChIKey of ethane;1-hydroxy-5-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is DGYBYIQIABXAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2H6/c1-6-3-2-4-7(8)5-6;1-2/h3,8H,2,4-5H2,1H3;1-2H3.
What are the key properties of ethane;1-hydroxy-5-methyl-3,6-dihydro-2H-pyridine?
ethane;1-hydroxy-5-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 143.23 g/mol, XLogP of 2.05, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-hydroxy-5-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 142290952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).