2-[1-(1-pyridin-2-ylprop-2-enoxy)prop-2-enyl]pyridine

C16H16N2O — CID 70599998

IUPAC2-[1-(1-pyridin-2-ylprop-2-enoxy)prop-2-enyl]pyridine
SMILESC=CC(OC(C=C)c1ccccn1)c1ccccn1
InChIInChI=1S/C16H16N2O/c1-3-15(13-9-5-7-11-17-13)19-16(4-2)14-10-6-8-12-18-14/h3-12,15-16H,1-2H2
InChIKeyGIAGJJMQUDATIP-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.65
Rot. Bonds6

About 2-[1-(1-pyridin-2-ylprop-2-enoxy)prop-2-enyl]pyridine

2-[1-(1-pyridin-2-ylprop-2-enoxy)prop-2-enyl]pyridine (PubChem CID 70599998) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[1-(1-pyridin-2-ylprop-2-enoxy)prop-2-enyl]pyridine.

Molecular Properties

Compound Name2-[1-(1-pyridin-2-ylprop-2-enoxy)prop-2-enyl]pyridine
PubChem CID70599998
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name2-[1-(1-pyridin-2-ylprop-2-enoxy)prop-2-enyl]pyridine
SMILESC=CC(OC(C=C)c1ccccn1)c1ccccn1
InChIInChI=1S/C16H16N2O/c1-3-15(13-9-5-7-11-17-13)19-16(4-2)14-10-6-8-12-18-14/h3-12,15-16H,1-2H2
InChIKeyGIAGJJMQUDATIP-UHFFFAOYSA-N
XLogP3.65
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-bromoprop-2-enyl)pyridine
CID 70499448
1-pyridin-2-yl-N,N-bis(1-pyridin-2-ylprop-2-enyl)prop-2-en-1-amine
CID 69092299
2-(dipyridin-2-ylmethyl)pyridine
CID 10332212
bis(3-chloro-4-methylphenyl)-(1-pyridin-2-ylprop-2-enoxy)borane
CID 10294154
N-prop-2-enyl-1-pyridin-2-ylprop-2-en-1-amine
CID 68906017
(1R,2R)-1-pyridin-2-yl-2-(trifluoromethyl)but-3-en-1-ol
CID 15261007
2-[(2R)-pent-4-en-2-yl]pyridine
CID 134838450
2-[bromo(pyridin-2-yl)methyl]pyridine;dihydrobromide
CID 126689202
dipyridin-2-ylmethanol;palladium(2+);dichloride
CID 173385206
2-(dichloromethyl)pyridine;hydrochloride
CID 18385076
2-amino-2-pyridin-2-ylethanethial
CID 87216139
2-bromo-2-pyridin-2-ylacetaldehyde
CID 87123192

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1-pyridin-2-ylprop-2-enoxy)prop-2-enyl]pyridine?
The IUPAC name of 2-[1-(1-pyridin-2-ylprop-2-enoxy)prop-2-enyl]pyridine (CID 70599998) is 2-[1-(1-pyridin-2-ylprop-2-enoxy)prop-2-enyl]pyridine.
What is the SMILES notation for 2-[1-(1-pyridin-2-ylprop-2-enoxy)prop-2-enyl]pyridine?
The canonical SMILES for 2-[1-(1-pyridin-2-ylprop-2-enoxy)prop-2-enyl]pyridine is C=CC(OC(C=C)c1ccccn1)c1ccccn1.
What is the InChIKey of 2-[1-(1-pyridin-2-ylprop-2-enoxy)prop-2-enyl]pyridine?
The InChIKey is GIAGJJMQUDATIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-3-15(13-9-5-7-11-17-13)19-16(4-2)14-10-6-8-12-18-14/h3-12,15-16H,1-2H2.
What are the key properties of 2-[1-(1-pyridin-2-ylprop-2-enoxy)prop-2-enyl]pyridine?
2-[1-(1-pyridin-2-ylprop-2-enoxy)prop-2-enyl]pyridine has a molecular weight of 252.32 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1-pyridin-2-ylprop-2-enoxy)prop-2-enyl]pyridine is sourced from PubChem (CID 70599998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).