(2Z)-2-[(5-methoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.2]octane

C14H18N2O — CID 18461073

IUPAC(2Z)-2-[(5-methoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.2]octane
SMILESCOc1cncc(/C=C2/CC3CCN2CC3)c1
InChIInChI=1S/C14H18N2O/c1-17-14-8-12(9-15-10-14)7-13-6-11-2-4-16(13)5-3-11/h7-11H,2-6H2,1H3/b13-7-
InChIKeyXUYCTCDKRVIULK-QPEQYQDCSA-N
MW230.31 g/mol
LogP2.55
Rot. Bonds2

About (2Z)-2-[(5-methoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.2]octane

(2Z)-2-[(5-methoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.2]octane (PubChem CID 18461073) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is (2Z)-2-[(5-methoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.2]octane.

Molecular Properties

Compound Name(2Z)-2-[(5-methoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.2]octane
PubChem CID18461073
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC Name(2Z)-2-[(5-methoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.2]octane
SMILESCOc1cncc(/C=C2/CC3CCN2CC3)c1
InChIInChI=1S/C14H18N2O/c1-17-14-8-12(9-15-10-14)7-13-6-11-2-4-16(13)5-3-11/h7-11H,2-6H2,1H3/b13-7-
InChIKeyXUYCTCDKRVIULK-QPEQYQDCSA-N
XLogP2.55
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methylidene]-1-azabicyclo[2.2.2]octane
CID 56993363
2-[(5-ethoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.1]heptane
CID 57095578
(5-methoxy-3-pyridinyl)methylidenehydrazine
CID 69400382
N-[(5-methoxy-3-pyridinyl)methylidene]hydroxylamine
CID 57363090
3-(5-methoxy-3-pyridinyl)-3-azabicyclo[3.1.0]hexane
CID 143976869
3-methoxy-5-(1-methylpyrrolidin-3-yl)oxypyridine
CID 134434870
(3S)-1-(5-methoxy-3-pyridinyl)piperidin-3-amine
CID 69206304
1-(5-methoxy-3-pyridinyl)piperazine;dihydrochloride
CID 126809385
1-ethyl-4-(5-methoxy-3-pyridinyl)piperazine
CID 22053538
2-[2-(5-methoxy-3-pyridinyl)ethynyl]-7-azabicyclo[2.2.1]heptane
CID 22219832
(5-methoxy-3-pyridinyl)-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methanol
CID 112680797
5-methoxy-N-pyrrolidin-1-ylpyridin-3-amine
CID 54544915

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[(5-methoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.2]octane?
The IUPAC name of (2Z)-2-[(5-methoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.2]octane (CID 18461073) is (2Z)-2-[(5-methoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.2]octane.
What is the SMILES notation for (2Z)-2-[(5-methoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.2]octane?
The canonical SMILES for (2Z)-2-[(5-methoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.2]octane is COc1cncc(/C=C2/CC3CCN2CC3)c1.
What is the InChIKey of (2Z)-2-[(5-methoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.2]octane?
The InChIKey is XUYCTCDKRVIULK-QPEQYQDCSA-N. The full InChI is InChI=1S/C14H18N2O/c1-17-14-8-12(9-15-10-14)7-13-6-11-2-4-16(13)5-3-11/h7-11H,2-6H2,1H3/b13-7-.
What are the key properties of (2Z)-2-[(5-methoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.2]octane?
(2Z)-2-[(5-methoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.2]octane has a molecular weight of 230.31 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[(5-methoxy-3-pyridinyl)methylidene]-1-azabicyclo[2.2.2]octane is sourced from PubChem (CID 18461073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).