(2E)-2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane

C14H18N2O — CID 18461059

IUPAC(2E)-2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane
SMILESCCOc1cncc(/C=C2\CC3CCN2C3)c1
InChIInChI=1S/C14H18N2O/c1-2-17-14-7-12(8-15-9-14)6-13-5-11-3-4-16(13)10-11/h6-9,11H,2-5,10H2,1H3/b13-6+
InChIKeyPXIYPXWGAZZNJV-AWNIVKPZSA-N
MW230.31 g/mol
LogP2.55
Rot. Bonds3

About (2E)-2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane

(2E)-2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane (PubChem CID 18461059) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (2E)-2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane.

Molecular Properties

Compound Name(2E)-2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane
PubChem CID18461059
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(2E)-2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane
SMILESCCOc1cncc(/C=C2\CC3CCN2C3)c1
InChIInChI=1S/C14H18N2O/c1-2-17-14-7-12(8-15-9-14)6-13-5-11-3-4-16(13)10-11/h6-9,11H,2-5,10H2,1H3/b13-6+
InChIKeyPXIYPXWGAZZNJV-AWNIVKPZSA-N
XLogP2.55
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane
CID 57095578
(2Z)-2-[(5-methoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.2]octane
CID 18461073
2-[[5-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylidene]-1-azabicyclo[2.2.2]octane
CID 56993363
2-[(5-ethoxy-3-pyridinyl)methyl]-1-azabicyclo[2.2.1]heptane
CID 18460990
4-(5-ethoxy-3-pyridinyl)cyclohexan-1-one
CID 83261226
3-[5-(2-methylbutoxy)-3-pyridinyl]-3-azabicyclo[3.2.1]octane
CID 91456410
(2Z,4S,5R)-5-ethyl-2-(pyridin-4-ylmethylidene)-1-azabicyclo[2.2.2]octane
CID 122399448
2-cyclobutyl-1-(5-ethoxy-3-pyridinyl)ethanol
CID 103170200
(E,2S)-5-(5-ethoxy-3-pyridinyl)pent-4-en-2-amine;dihydrochloride
CID 178024565
(5-ethoxy-3-pyridinyl)-[(1R,6S)-7-oxa-3-azabicyclo[4.1.0]heptan-3-yl]methanone
CID 124748673
3-(cyclopropylmethoxy)-5-[2-(1-methylpiperidin-4-yl)ethenyl]pyridine
CID 67001177
(2Z)-2-[(3-ethoxyphenyl)methylidene]-1-azabicyclo[2.2.2]octan-3-one
CID 110540113

Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane?
The IUPAC name of (2E)-2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane (CID 18461059) is (2E)-2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane.
What is the SMILES notation for (2E)-2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane?
The canonical SMILES for (2E)-2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane is CCOc1cncc(/C=C2\CC3CCN2C3)c1.
What is the InChIKey of (2E)-2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane?
The InChIKey is PXIYPXWGAZZNJV-AWNIVKPZSA-N. The full InChI is InChI=1S/C14H18N2O/c1-2-17-14-7-12(8-15-9-14)6-13-5-11-3-4-16(13)10-11/h6-9,11H,2-5,10H2,1H3/b13-6+.
What are the key properties of (2E)-2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane?
(2E)-2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane has a molecular weight of 230.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane is sourced from PubChem (CID 18461059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).