2-[(E)-4-(2-ethenyl-4-ethoxycyclopenten-1-yl)but-2-en-2-yl]pyridine

C18H23NO — CID 143124718

IUPAC2-[(E)-4-(2-ethenyl-4-ethoxycyclopenten-1-yl)but-2-en-2-yl]pyridine
SMILESC=CC1=C(C/C=C(\C)c2ccccn2)CC(OCC)C1
InChIInChI=1S/C18H23NO/c1-4-15-12-17(20-5-2)13-16(15)10-9-14(3)18-8-6-7-11-19-18/h4,6-9,11,17H,1,5,10,12-13H2,2-3H3/b14-9+
InChIKeyNJAJAJVBURSCKF-NTEUORMPSA-N
MW269.39 g/mol
LogP4.56
Rot. Bonds6

About 2-[(E)-4-(2-ethenyl-4-ethoxycyclopenten-1-yl)but-2-en-2-yl]pyridine

2-[(E)-4-(2-ethenyl-4-ethoxycyclopenten-1-yl)but-2-en-2-yl]pyridine (PubChem CID 143124718) has the molecular formula C18H23NO and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[(E)-4-(2-ethenyl-4-ethoxycyclopenten-1-yl)but-2-en-2-yl]pyridine.

Molecular Properties

Compound Name2-[(E)-4-(2-ethenyl-4-ethoxycyclopenten-1-yl)but-2-en-2-yl]pyridine
PubChem CID143124718
Molecular FormulaC18H23NO
Molecular Weight269.39 g/mol
Exact Mass269.18
IUPAC Name2-[(E)-4-(2-ethenyl-4-ethoxycyclopenten-1-yl)but-2-en-2-yl]pyridine
SMILESC=CC1=C(C/C=C(\C)c2ccccn2)CC(OCC)C1
InChIInChI=1S/C18H23NO/c1-4-15-12-17(20-5-2)13-16(15)10-9-14(3)18-8-6-7-11-19-18/h4,6-9,11,17H,1,5,10,12-13H2,2-3H3/b14-9+
InChIKeyNJAJAJVBURSCKF-NTEUORMPSA-N
XLogP4.56
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(Z)-pent-2-en-2-yl]pyridine
CID 45079825
2-(4-phenylbut-2-en-2-yl)pyridine
CID 175479491
ethyl (E)-3-pyridin-2-ylbut-2-enoate
CID 22236931
2-[(3Z)-penta-1,3-dien-3-yl]pyridine
CID 147592446
2-[(Z)-3-buta-1,3-dien-2-ylsulfanylbut-2-en-2-yl]pyridine
CID 155095870
(3Z,5Z,7E)-3-methyl-7-pyridin-2-ylnona-3,5,7-trien-4-amine
CID 142517601
(E)-2-pyridin-2-ylprop-1-en-1-amine
CID 22861961
2-[(E)-pent-2-en-2-yl]pyridine;2-prop-1-en-2-ylpyridine-4-carboxylic acid
CID 145355703
ethyl pyridine-2-carboxylate
CID 17307
ethane;2-[(2Z,4E)-hepta-2,4-dien-4-yl]pyridine
CID 145320713
2-[(E)-1,2-dichloroethenyl]pyridine
CID 146396959
N-methyl-1-[(Z)-2-pyridin-2-ylpent-2-en-3-yl]oxyethenamine
CID 139353440

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-4-(2-ethenyl-4-ethoxycyclopenten-1-yl)but-2-en-2-yl]pyridine?
The IUPAC name of 2-[(E)-4-(2-ethenyl-4-ethoxycyclopenten-1-yl)but-2-en-2-yl]pyridine (CID 143124718) is 2-[(E)-4-(2-ethenyl-4-ethoxycyclopenten-1-yl)but-2-en-2-yl]pyridine.
What is the SMILES notation for 2-[(E)-4-(2-ethenyl-4-ethoxycyclopenten-1-yl)but-2-en-2-yl]pyridine?
The canonical SMILES for 2-[(E)-4-(2-ethenyl-4-ethoxycyclopenten-1-yl)but-2-en-2-yl]pyridine is C=CC1=C(C/C=C(\C)c2ccccn2)CC(OCC)C1.
What is the InChIKey of 2-[(E)-4-(2-ethenyl-4-ethoxycyclopenten-1-yl)but-2-en-2-yl]pyridine?
The InChIKey is NJAJAJVBURSCKF-NTEUORMPSA-N. The full InChI is InChI=1S/C18H23NO/c1-4-15-12-17(20-5-2)13-16(15)10-9-14(3)18-8-6-7-11-19-18/h4,6-9,11,17H,1,5,10,12-13H2,2-3H3/b14-9+.
What are the key properties of 2-[(E)-4-(2-ethenyl-4-ethoxycyclopenten-1-yl)but-2-en-2-yl]pyridine?
2-[(E)-4-(2-ethenyl-4-ethoxycyclopenten-1-yl)but-2-en-2-yl]pyridine has a molecular weight of 269.39 g/mol, XLogP of 4.56, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-4-(2-ethenyl-4-ethoxycyclopenten-1-yl)but-2-en-2-yl]pyridine is sourced from PubChem (CID 143124718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).