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

C13H21NO — CID 142428231

IUPAC1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol
SMILESC=CC1=C(C=C)CN(CC(O)CC)CC1
InChIInChI=1S/C13H21NO/c1-4-11-7-8-14(9-12(11)5-2)10-13(15)6-3/h4-5,13,15H,1-2,6-10H2,3H3
InChIKeyUWLUDIMQEZRUDR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.13
Rot. Bonds5

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

1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol (PubChem CID 142428231) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol.

Molecular Properties

Compound Name1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol
PubChem CID142428231
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol
SMILESC=CC1=C(C=C)CN(CC(O)CC)CC1
InChIInChI=1S/C13H21NO/c1-4-11-7-8-14(9-12(11)5-2)10-13(15)6-3/h4-5,13,15H,1-2,6-10H2,3H3
InChIKeyUWLUDIMQEZRUDR-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.13
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?
The IUPAC name of 1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol (CID 142428231) is 1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol.
What is the SMILES notation for 1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol?
The canonical SMILES for 1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol is C=CC1=C(C=C)CN(CC(O)CC)CC1.
What is the InChIKey of 1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol?
The InChIKey is UWLUDIMQEZRUDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-4-11-7-8-14(9-12(11)5-2)10-13(15)6-3/h4-5,13,15H,1-2,6-10H2,3H3.
What are the key properties of 1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol?
1-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]butan-2-ol has a molecular weight of 207.32 g/mol, XLogP of 2.13, 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 is sourced from PubChem (CID 142428231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).