(E)-3-(2,3-dihydropyridin-6-yl)prop-1-en-1-ol

C8H11NO — CID 88972682

IUPAC(E)-3-(2,3-dihydropyridin-6-yl)prop-1-en-1-ol
SMILESO/C=C/CC1=NCCC=C1
InChIInChI=1S/C8H11NO/c10-7-3-5-8-4-1-2-6-9-8/h1,3-4,7,10H,2,5-6H2/b7-3+
InChIKeyRZZVCMQBGIYGEB-XVNBXDOJSA-N
MW137.18 g/mol
LogP1.85
Rot. Bonds2

About (E)-3-(2,3-dihydropyridin-6-yl)prop-1-en-1-ol

(E)-3-(2,3-dihydropyridin-6-yl)prop-1-en-1-ol (PubChem CID 88972682) has the molecular formula C8H11NO and a molecular weight of 137.18 g/mol. Its IUPAC name is (E)-3-(2,3-dihydropyridin-6-yl)prop-1-en-1-ol.

Molecular Properties

Compound Name(E)-3-(2,3-dihydropyridin-6-yl)prop-1-en-1-ol
PubChem CID88972682
Molecular FormulaC8H11NO
Molecular Weight137.18 g/mol
Exact Mass137.08
IUPAC Name(E)-3-(2,3-dihydropyridin-6-yl)prop-1-en-1-ol
SMILESO/C=C/CC1=NCCC=C1
InChIInChI=1S/C8H11NO/c10-7-3-5-8-4-1-2-6-9-8/h1,3-4,7,10H,2,5-6H2/b7-3+
InChIKeyRZZVCMQBGIYGEB-XVNBXDOJSA-N
XLogP1.85
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.18
LogP ≤ 51.85
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,3-dihydropyridin-6-yl)prop-1-en-1-ol?
The IUPAC name of (E)-3-(2,3-dihydropyridin-6-yl)prop-1-en-1-ol (CID 88972682) is (E)-3-(2,3-dihydropyridin-6-yl)prop-1-en-1-ol.
What is the SMILES notation for (E)-3-(2,3-dihydropyridin-6-yl)prop-1-en-1-ol?
The canonical SMILES for (E)-3-(2,3-dihydropyridin-6-yl)prop-1-en-1-ol is O/C=C/CC1=NCCC=C1.
What is the InChIKey of (E)-3-(2,3-dihydropyridin-6-yl)prop-1-en-1-ol?
The InChIKey is RZZVCMQBGIYGEB-XVNBXDOJSA-N. The full InChI is InChI=1S/C8H11NO/c10-7-3-5-8-4-1-2-6-9-8/h1,3-4,7,10H,2,5-6H2/b7-3+.
What are the key properties of (E)-3-(2,3-dihydropyridin-6-yl)prop-1-en-1-ol?
(E)-3-(2,3-dihydropyridin-6-yl)prop-1-en-1-ol has a molecular weight of 137.18 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,3-dihydropyridin-6-yl)prop-1-en-1-ol is sourced from PubChem (CID 88972682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).