[4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]methanol;ethane

C12H21NO — CID 142031618

IUPAC[4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]methanol;ethane
SMILESC=CC1=C(C=C)CC(CO)NC1.CC
InChIInChI=1S/C10H15NO.C2H6/c1-3-8-5-10(7-12)11-6-9(8)4-2;1-2/h3-4,10-12H,1-2,5-7H2;1-2H3
InChIKeyHUFOFPOORRACQL-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.04
Rot. Bonds3

About [4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]methanol;ethane

[4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]methanol;ethane (PubChem CID 142031618) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is [4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]methanol;ethane.

Molecular Properties

Compound Name[4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]methanol;ethane
PubChem CID142031618
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name[4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]methanol;ethane
SMILESC=CC1=C(C=C)CC(CO)NC1.CC
InChIInChI=1S/C10H15NO.C2H6/c1-3-8-5-10(7-12)11-6-9(8)4-2;1-2/h3-4,10-12H,1-2,5-7H2;1-2H3
InChIKeyHUFOFPOORRACQL-UHFFFAOYSA-N
XLogP2.04
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]methanol;ethane?
The IUPAC name of [4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]methanol;ethane (CID 142031618) is [4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]methanol;ethane.
What is the SMILES notation for [4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]methanol;ethane?
The canonical SMILES for [4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]methanol;ethane is C=CC1=C(C=C)CC(CO)NC1.CC.
What is the InChIKey of [4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]methanol;ethane?
The InChIKey is HUFOFPOORRACQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO.C2H6/c1-3-8-5-10(7-12)11-6-9(8)4-2;1-2/h3-4,10-12H,1-2,5-7H2;1-2H3.
What are the key properties of [4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]methanol;ethane?
[4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]methanol;ethane has a molecular weight of 195.31 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,5-bis(ethenyl)-1,2,3,6-tetrahydropyridin-2-yl]methanol;ethane is sourced from PubChem (CID 142031618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).