ethane;1-(3-ethenyl-5-methyl-4-pyridinyl)ethenol

C12H17NO — CID 167523166

IUPACethane;1-(3-ethenyl-5-methyl-4-pyridinyl)ethenol
SMILESC=Cc1cncc(C)c1C(=C)O.CC
InChIInChI=1S/C10H11NO.C2H6/c1-4-9-6-11-5-7(2)10(9)8(3)12;1-2/h4-6,12H,1,3H2,2H3;1-2H3
InChIKeyIDAIRNNVDKIUCR-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.59
Rot. Bonds2

About ethane;1-(3-ethenyl-5-methyl-4-pyridinyl)ethenol

ethane;1-(3-ethenyl-5-methyl-4-pyridinyl)ethenol (PubChem CID 167523166) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is ethane;1-(3-ethenyl-5-methyl-4-pyridinyl)ethenol.

Molecular Properties

Compound Nameethane;1-(3-ethenyl-5-methyl-4-pyridinyl)ethenol
PubChem CID167523166
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Nameethane;1-(3-ethenyl-5-methyl-4-pyridinyl)ethenol
SMILESC=Cc1cncc(C)c1C(=C)O.CC
InChIInChI=1S/C10H11NO.C2H6/c1-4-9-6-11-5-7(2)10(9)8(3)12;1-2/h4-6,12H,1,3H2,2H3;1-2H3
InChIKeyIDAIRNNVDKIUCR-UHFFFAOYSA-N
XLogP3.59
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.59
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

3-ethenyl-5-methylpyridine-4-carboxylic acid
CID 74888995
3-ethenyl-4-methoxy-5-methylpyridine
CID 74890937
ethane;1-ethenyl-3-methyl-2-prop-1-en-2-ylbenzene
CID 144517802
ethane;3-ethenyl-5-methyl-2-prop-1-en-2-ylquinoline
CID 143617144
N-(4-ethenyl-5-methyl-3-pyridinyl)methanimine
CID 166455325
4-ethenyl-3-ethyl-5-methylpyridine
CID 142108628
1-(3-bromo-5-methyl-4-pyridinyl)ethanone
CID 84680118
3,4-bis(ethenyl)-5-(4-methylphenyl)pyridine
CID 144591964
4-ethenyl-3-methyl-2H-pyrazolo[3,4-c]pyridine
CID 167523031
propan-2-yl 3,5-dimethylpyridine-4-carboxylate
CID 177327214
3-ethenyl-2,5,6-trimethylphenol;methanol
CID 171080128
2-buta-1,3-dien-2-yl-1-ethenyl-3-methylbenzene
CID 145265911

Frequently Asked Questions

What is the IUPAC name of ethane;1-(3-ethenyl-5-methyl-4-pyridinyl)ethenol?
The IUPAC name of ethane;1-(3-ethenyl-5-methyl-4-pyridinyl)ethenol (CID 167523166) is ethane;1-(3-ethenyl-5-methyl-4-pyridinyl)ethenol.
What is the SMILES notation for ethane;1-(3-ethenyl-5-methyl-4-pyridinyl)ethenol?
The canonical SMILES for ethane;1-(3-ethenyl-5-methyl-4-pyridinyl)ethenol is C=Cc1cncc(C)c1C(=C)O.CC.
What is the InChIKey of ethane;1-(3-ethenyl-5-methyl-4-pyridinyl)ethenol?
The InChIKey is IDAIRNNVDKIUCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO.C2H6/c1-4-9-6-11-5-7(2)10(9)8(3)12;1-2/h4-6,12H,1,3H2,2H3;1-2H3.
What are the key properties of ethane;1-(3-ethenyl-5-methyl-4-pyridinyl)ethenol?
ethane;1-(3-ethenyl-5-methyl-4-pyridinyl)ethenol has a molecular weight of 191.27 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(3-ethenyl-5-methyl-4-pyridinyl)ethenol is sourced from PubChem (CID 167523166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).