2-[(Z)-but-2-enyl]pyridin-3-ol;ethane;(Z)-prop-1-ene-1,2-diol

C14H23NO3 — CID 142965144

IUPAC2-[(Z)-but-2-enyl]pyridin-3-ol;ethane;(Z)-prop-1-ene-1,2-diol
SMILESC/C(O)=C/O.C/C=C\Cc1ncccc1O.CC
InChIInChI=1S/C9H11NO.C3H6O2.C2H6/c1-2-3-5-8-9(11)6-4-7-10-8;1-3(5)2-4;1-2/h2-4,6-7,11H,5H2,1H3;2,4-5H,1H3;1-2H3/b2*3-2-;
InChIKeyODPLUUGSZDECQG-OZWADYBTSA-N
MW253.34 g/mol
LogP3.90
Rot. Bonds2

About 2-[(Z)-but-2-enyl]pyridin-3-ol;ethane;(Z)-prop-1-ene-1,2-diol

2-[(Z)-but-2-enyl]pyridin-3-ol;ethane;(Z)-prop-1-ene-1,2-diol (PubChem CID 142965144) has the molecular formula C14H23NO3 and a molecular weight of 253.34 g/mol. Its IUPAC name is 2-[(Z)-but-2-enyl]pyridin-3-ol;ethane;(Z)-prop-1-ene-1,2-diol.

Molecular Properties

Compound Name2-[(Z)-but-2-enyl]pyridin-3-ol;ethane;(Z)-prop-1-ene-1,2-diol
PubChem CID142965144
Molecular FormulaC14H23NO3
Molecular Weight253.34 g/mol
Exact Mass253.17
IUPAC Name2-[(Z)-but-2-enyl]pyridin-3-ol;ethane;(Z)-prop-1-ene-1,2-diol
SMILESC/C(O)=C/O.C/C=C\Cc1ncccc1O.CC
InChIInChI=1S/C9H11NO.C3H6O2.C2H6/c1-2-3-5-8-9(11)6-4-7-10-8;1-3(5)2-4;1-2/h2-4,6-7,11H,5H2,1H3;2,4-5H,1H3;1-2H3/b2*3-2-;
InChIKeyODPLUUGSZDECQG-OZWADYBTSA-N
XLogP3.90
TPSA73.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-enyl]pyridin-3-ol;ethane;(Z)-prop-1-ene-1,2-diol?
The IUPAC name of 2-[(Z)-but-2-enyl]pyridin-3-ol;ethane;(Z)-prop-1-ene-1,2-diol (CID 142965144) is 2-[(Z)-but-2-enyl]pyridin-3-ol;ethane;(Z)-prop-1-ene-1,2-diol.
What is the SMILES notation for 2-[(Z)-but-2-enyl]pyridin-3-ol;ethane;(Z)-prop-1-ene-1,2-diol?
The canonical SMILES for 2-[(Z)-but-2-enyl]pyridin-3-ol;ethane;(Z)-prop-1-ene-1,2-diol is C/C(O)=C/O.C/C=C\Cc1ncccc1O.CC.
What is the InChIKey of 2-[(Z)-but-2-enyl]pyridin-3-ol;ethane;(Z)-prop-1-ene-1,2-diol?
The InChIKey is ODPLUUGSZDECQG-OZWADYBTSA-N. The full InChI is InChI=1S/C9H11NO.C3H6O2.C2H6/c1-2-3-5-8-9(11)6-4-7-10-8;1-3(5)2-4;1-2/h2-4,6-7,11H,5H2,1H3;2,4-5H,1H3;1-2H3/b2*3-2-;.
What are the key properties of 2-[(Z)-but-2-enyl]pyridin-3-ol;ethane;(Z)-prop-1-ene-1,2-diol?
2-[(Z)-but-2-enyl]pyridin-3-ol;ethane;(Z)-prop-1-ene-1,2-diol has a molecular weight of 253.34 g/mol, XLogP of 3.90, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-enyl]pyridin-3-ol;ethane;(Z)-prop-1-ene-1,2-diol is sourced from PubChem (CID 142965144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).