1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethenol

C10H17NO — CID 171621947

IUPAC1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethenol
SMILESC=C(O)C1=CCCN(CCC)C1
InChIInChI=1S/C10H17NO/c1-3-6-11-7-4-5-10(8-11)9(2)12/h5,12H,2-4,6-8H2,1H3
InChIKeyDAJVMHTUKYAXFN-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.10
Rot. Bonds3

About 1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethenol

1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethenol (PubChem CID 171621947) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethenol.

Molecular Properties

Compound Name1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethenol
PubChem CID171621947
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethenol
SMILESC=C(O)C1=CCCN(CCC)C1
InChIInChI=1S/C10H17NO/c1-3-6-11-7-4-5-10(8-11)9(2)12/h5,12H,2-4,6-8H2,1H3
InChIKeyDAJVMHTUKYAXFN-UHFFFAOYSA-N
XLogP2.10
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.10
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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Related Compounds

2-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)propan-2-ol
CID 297114
(1-ethyl-3,6-dihydro-2H-pyridin-5-yl)methanol
CID 23564082
3-(Diethylamino)-6-methylcyclohexa-1,5-dien-1-ol
CID 89265185
1,5-diethyl-3-methyl-2H-pyridin-2-ol
CID 123967917
1-[(Z)-but-2-en-2-yl]-2,3-dimethyl-2H-pyridin-5-ol
CID 134292304
1-methyl-3-[(E)-pent-1-enyl]-2H-pyridin-5-ol
CID 141142400
ethane;(2E,4Z)-4-[[methyl-[2-[methyl-[(2E)-2-[(Z)-prop-1-enyl]penta-2,4-dienyl]amino]ethyl]amino]methyl]hexa-2,4-dien-3-ol
CID 144573083
(2E,4Z)-4-[(4-methylpiperazin-1-yl)methyl]hepta-2,4-dien-3-ol
CID 146321512
1-(Diethylamino)cyclohexa-2,4-dien-1-ol
CID 151374708
(Z)-5-[methyl(3-methylbut-2-enyl)amino]pent-2-en-3-ol
CID 163447104
(2Z,4Z,6Z)-5-[[tert-butyl(methyl)amino]methyl]octa-2,4,6-trien-4-ol
CID 166955265
(3E)-3-[(dimethylamino)methyl]-2-methylhexa-3,5-dien-2-ol
CID 169940377

Frequently Asked Questions

What is the IUPAC name of 1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethenol?
The IUPAC name of 1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethenol (CID 171621947) is 1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethenol.
What is the SMILES notation for 1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethenol?
The canonical SMILES for 1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethenol is C=C(O)C1=CCCN(CCC)C1.
What is the InChIKey of 1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethenol?
The InChIKey is DAJVMHTUKYAXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-6-11-7-4-5-10(8-11)9(2)12/h5,12H,2-4,6-8H2,1H3.
What are the key properties of 1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethenol?
1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethenol has a molecular weight of 167.25 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)ethenol is sourced from PubChem (CID 171621947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).