1-(1,4-dihydropyridin-2-yl)prop-2-en-1-ol

C8H11NO — CID 70450059

IUPAC1-(1,4-dihydropyridin-2-yl)prop-2-en-1-ol
SMILESC=CC(O)C1=CCC=CN1
InChIInChI=1S/C8H11NO/c1-2-8(10)7-5-3-4-6-9-7/h2,4-6,8-10H,1,3H2
InChIKeyIWLVKBWTRGUNNZ-UHFFFAOYSA-N
MW137.18 g/mol
LogP0.92
Rot. Bonds2

About 1-(1,4-dihydropyridin-2-yl)prop-2-en-1-ol

1-(1,4-dihydropyridin-2-yl)prop-2-en-1-ol (PubChem CID 70450059) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is 1-(1,4-dihydropyridin-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(1,4-dihydropyridin-2-yl)prop-2-en-1-ol
PubChem CID70450059
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name1-(1,4-dihydropyridin-2-yl)prop-2-en-1-ol
SMILESC=CC(O)C1=CCC=CN1
InChIInChI=1S/C8H11NO/c1-2-8(10)7-5-3-4-6-9-7/h2,4-6,8-10H,1,3H2
InChIKeyIWLVKBWTRGUNNZ-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dihydropyridin-2-yl)prop-2-en-1-ol?
The IUPAC name of 1-(1,4-dihydropyridin-2-yl)prop-2-en-1-ol (CID 70450059) is 1-(1,4-dihydropyridin-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(1,4-dihydropyridin-2-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(1,4-dihydropyridin-2-yl)prop-2-en-1-ol is C=CC(O)C1=CCC=CN1.
What is the InChIKey of 1-(1,4-dihydropyridin-2-yl)prop-2-en-1-ol?
The InChIKey is IWLVKBWTRGUNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO/c1-2-8(10)7-5-3-4-6-9-7/h2,4-6,8-10H,1,3H2.
What are the key properties of 1-(1,4-dihydropyridin-2-yl)prop-2-en-1-ol?
1-(1,4-dihydropyridin-2-yl)prop-2-en-1-ol has a molecular weight of 137.18 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dihydropyridin-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 70450059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).