1-(1-ethyl-6-methyl-3,4-dihydro-2H-pyridin-5-yl)ethenol

C10H17NO — CID 138474781

IUPAC1-(1-ethyl-6-methyl-3,4-dihydro-2H-pyridin-5-yl)ethenol
SMILESC=C(O)C1=C(C)N(CC)CCC1
InChIInChI=1S/C10H17NO/c1-4-11-7-5-6-10(8(11)2)9(3)12/h12H,3-7H2,1-2H3
InChIKeyKGKQOSZEPBTXHI-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.45
Rot. Bonds2

About 1-(1-ethyl-6-methyl-3,4-dihydro-2H-pyridin-5-yl)ethenol

1-(1-ethyl-6-methyl-3,4-dihydro-2H-pyridin-5-yl)ethenol (PubChem CID 138474781) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(1-ethyl-6-methyl-3,4-dihydro-2H-pyridin-5-yl)ethenol.

Molecular Properties

Compound Name1-(1-ethyl-6-methyl-3,4-dihydro-2H-pyridin-5-yl)ethenol
PubChem CID138474781
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(1-ethyl-6-methyl-3,4-dihydro-2H-pyridin-5-yl)ethenol
SMILESC=C(O)C1=C(C)N(CC)CCC1
InChIInChI=1S/C10H17NO/c1-4-11-7-5-6-10(8(11)2)9(3)12/h12H,3-7H2,1-2H3
InChIKeyKGKQOSZEPBTXHI-UHFFFAOYSA-N
XLogP2.45
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethyl-6-methyl-3,4-dihydro-2H-pyridin-5-yl)ethenol?
The IUPAC name of 1-(1-ethyl-6-methyl-3,4-dihydro-2H-pyridin-5-yl)ethenol (CID 138474781) is 1-(1-ethyl-6-methyl-3,4-dihydro-2H-pyridin-5-yl)ethenol.
What is the SMILES notation for 1-(1-ethyl-6-methyl-3,4-dihydro-2H-pyridin-5-yl)ethenol?
The canonical SMILES for 1-(1-ethyl-6-methyl-3,4-dihydro-2H-pyridin-5-yl)ethenol is C=C(O)C1=C(C)N(CC)CCC1.
What is the InChIKey of 1-(1-ethyl-6-methyl-3,4-dihydro-2H-pyridin-5-yl)ethenol?
The InChIKey is KGKQOSZEPBTXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-4-11-7-5-6-10(8(11)2)9(3)12/h12H,3-7H2,1-2H3.
What are the key properties of 1-(1-ethyl-6-methyl-3,4-dihydro-2H-pyridin-5-yl)ethenol?
1-(1-ethyl-6-methyl-3,4-dihydro-2H-pyridin-5-yl)ethenol has a molecular weight of 167.25 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethyl-6-methyl-3,4-dihydro-2H-pyridin-5-yl)ethenol is sourced from PubChem (CID 138474781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).