1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol;ethane

C15H27NO — CID 142428230

IUPAC1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol;ethane
SMILESC=CC1=C(C=C)CN(CC(O)CC)CC1.CC
InChIInChI=1S/C13H21NO.C2H6/c1-4-11-7-8-14(9-12(11)5-2)10-13(15)6-3;1-2/h4-5,13,15H,1-2,6-10H2,3H3;1-2H3
InChIKeyHYMIPFKNEKLOPT-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.16
Rot. Bonds5

About 1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol;ethane

1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol;ethane (PubChem CID 142428230) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol;ethane.

Molecular Properties

Compound Name1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol;ethane
PubChem CID142428230
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol;ethane
SMILESC=CC1=C(C=C)CN(CC(O)CC)CC1.CC
InChIInChI=1S/C13H21NO.C2H6/c1-4-11-7-8-14(9-12(11)5-2)10-13(15)6-3;1-2/h4-5,13,15H,1-2,6-10H2,3H3;1-2H3
InChIKeyHYMIPFKNEKLOPT-UHFFFAOYSA-N
XLogP3.16
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol;ethane?
The IUPAC name of 1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol;ethane (CID 142428230) is 1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol;ethane.
What is the SMILES notation for 1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol;ethane?
The canonical SMILES for 1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol;ethane is C=CC1=C(C=C)CN(CC(O)CC)CC1.CC.
What is the InChIKey of 1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol;ethane?
The InChIKey is HYMIPFKNEKLOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO.C2H6/c1-4-11-7-8-14(9-12(11)5-2)10-13(15)6-3;1-2/h4-5,13,15H,1-2,6-10H2,3H3;1-2H3.
What are the key properties of 1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol;ethane?
1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol;ethane has a molecular weight of 237.39 g/mol, XLogP of 3.16, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol;ethane is sourced from PubChem (CID 142428230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).