(Z)-N-[1-(6-methoxy-3-pyridinyl)cycloprop-2-en-1-yl]but-2-en-1-imine

C13H14N2O — CID 143906817

IUPAC(Z)-N-[1-(6-methoxy-3-pyridinyl)cycloprop-2-en-1-yl]but-2-en-1-imine
SMILESC/C=C\C=N\C1(c2ccc(OC)nc2)C=C1
InChIInChI=1S/C13H14N2O/c1-3-4-9-15-13(7-8-13)11-5-6-12(16-2)14-10-11/h3-10H,1-2H3/b4-3-,15-9+
InChIKeyCTONYJVIRRTENS-STGUDAQOSA-N
MW214.27 g/mol
LogP2.50
Rot. Bonds4

About (Z)-N-[1-(6-methoxy-3-pyridinyl)cycloprop-2-en-1-yl]but-2-en-1-imine

(Z)-N-[1-(6-methoxy-3-pyridinyl)cycloprop-2-en-1-yl]but-2-en-1-imine (PubChem CID 143906817) has the molecular formula C13H14N2O and a molecular weight of 214.27 g/mol. Its IUPAC name is (Z)-N-[1-(6-methoxy-3-pyridinyl)cycloprop-2-en-1-yl]but-2-en-1-imine.

Molecular Properties

Compound Name(Z)-N-[1-(6-methoxy-3-pyridinyl)cycloprop-2-en-1-yl]but-2-en-1-imine
PubChem CID143906817
Molecular FormulaC13H14N2O
Molecular Weight214.27 g/mol
Exact Mass214.11
IUPAC Name(Z)-N-[1-(6-methoxy-3-pyridinyl)cycloprop-2-en-1-yl]but-2-en-1-imine
SMILESC/C=C\C=N\C1(c2ccc(OC)nc2)C=C1
InChIInChI=1S/C13H14N2O/c1-3-4-9-15-13(7-8-13)11-5-6-12(16-2)14-10-11/h3-10H,1-2H3/b4-3-,15-9+
InChIKeyCTONYJVIRRTENS-STGUDAQOSA-N
XLogP2.50
TPSA34.48 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (Z)-N-[1-(6-methoxy-3-pyridinyl)cycloprop-2-en-1-yl]but-2-en-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methoxy-5-(1-methylcyclopropyl)pyridine
CID 140857812
1-(6-methoxy-3-pyridinyl)cyclohexa-2,4-diene-1-carboxylic acid
CID 69253966
5-bromo-2-methoxypyridine
CID 2734895
CID 59248881
CID 59248881
6-methoxypyridine-3-carbaldehyde
CID 3364576
1-[4-(6-methoxy-3-pyridinyl)phenyl]cyclopropan-1-amine
CID 121277753
3-(6-methoxy-3-pyridinyl)-8-oxabicyclo[3.2.1]octan-3-ol
CID 171957748
2-[1-(6-methoxy-3-pyridinyl)cyclopropyl]acetamide
CID 139882127
2-methoxy-5-[(Z)-2-methoxyethenyl]pyridine
CID 45091043
2-methoxy-5-[(Z)-2-nitrosoprop-1-enyl]pyridine
CID 89164549
3-hydroxy-3-(6-methoxy-3-pyridinyl)-1H-indol-2-one
CID 163232483
3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957753

Frequently Asked Questions

What is the IUPAC name of (Z)-N-[1-(6-methoxy-3-pyridinyl)cycloprop-2-en-1-yl]but-2-en-1-imine?
The IUPAC name of (Z)-N-[1-(6-methoxy-3-pyridinyl)cycloprop-2-en-1-yl]but-2-en-1-imine (CID 143906817) is (Z)-N-[1-(6-methoxy-3-pyridinyl)cycloprop-2-en-1-yl]but-2-en-1-imine.
What is the SMILES notation for (Z)-N-[1-(6-methoxy-3-pyridinyl)cycloprop-2-en-1-yl]but-2-en-1-imine?
The canonical SMILES for (Z)-N-[1-(6-methoxy-3-pyridinyl)cycloprop-2-en-1-yl]but-2-en-1-imine is C/C=C\C=N\C1(c2ccc(OC)nc2)C=C1.
What is the InChIKey of (Z)-N-[1-(6-methoxy-3-pyridinyl)cycloprop-2-en-1-yl]but-2-en-1-imine?
The InChIKey is CTONYJVIRRTENS-STGUDAQOSA-N. The full InChI is InChI=1S/C13H14N2O/c1-3-4-9-15-13(7-8-13)11-5-6-12(16-2)14-10-11/h3-10H,1-2H3/b4-3-,15-9+.
What are the key properties of (Z)-N-[1-(6-methoxy-3-pyridinyl)cycloprop-2-en-1-yl]but-2-en-1-imine?
(Z)-N-[1-(6-methoxy-3-pyridinyl)cycloprop-2-en-1-yl]but-2-en-1-imine has a molecular weight of 214.27 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-[1-(6-methoxy-3-pyridinyl)cycloprop-2-en-1-yl]but-2-en-1-imine is sourced from PubChem (CID 143906817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).