4-but-3-enoxypyridine-2-carbonitrile

C10H10N2O — CID 62936255

IUPAC4-but-3-enoxypyridine-2-carbonitrile
SMILESC=CCCOc1ccnc(C#N)c1
InChIInChI=1S/C10H10N2O/c1-2-3-6-13-10-4-5-12-9(7-10)8-11/h2,4-5,7H,1,3,6H2
InChIKeyZKMUTGSAOHPPIK-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.91
Rot. Bonds4

About 4-but-3-enoxypyridine-2-carbonitrile

4-but-3-enoxypyridine-2-carbonitrile (PubChem CID 62936255) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 4-but-3-enoxypyridine-2-carbonitrile.

Molecular Properties

Compound Name4-but-3-enoxypyridine-2-carbonitrile
PubChem CID62936255
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name4-but-3-enoxypyridine-2-carbonitrile
SMILESC=CCCOc1ccnc(C#N)c1
InChIInChI=1S/C10H10N2O/c1-2-3-6-13-10-4-5-12-9(7-10)8-11/h2,4-5,7H,1,3,6H2
InChIKeyZKMUTGSAOHPPIK-UHFFFAOYSA-N
XLogP1.91
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(2-phenoxyethoxy)pyridine-2-carbonitrile
CID 62937276
5-[5-[(2-cyano-4-pyridinyl)oxy]pentoxy]pyridine-2-carbonitrile
CID 147688494
4-(2,2-difluoroethoxy)pyridine-2-carbonitrile
CID 71758116
3-(2-but-3-enoxyethoxy)benzonitrile
CID 43289826
2-bromo-4-pent-4-enoxypyridine
CID 145438078
2-(3-but-3-enoxyphenyl)acetonitrile
CID 70597705
4-(2-piperidin-2-ylethoxy)pyridine-2-carbonitrile
CID 62925745
4-cyclobutyloxypyridine-2-carbonitrile
CID 62937286
4-(oxolan-2-ylmethoxy)pyridine-2-carbonitrile
CID 62936750
4-cyclopentyloxypyridine-2-carbonitrile
CID 62936068
5-but-3-enoxy-1,3-benzodioxole
CID 10511936
4-[2-[4-[2-(4-but-3-enoxyphenyl)ethyl]-2,6-difluorophenyl]ethyl]-2,6-difluorobenzonitrile
CID 139901503

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxypyridine-2-carbonitrile?
The IUPAC name of 4-but-3-enoxypyridine-2-carbonitrile (CID 62936255) is 4-but-3-enoxypyridine-2-carbonitrile.
What is the SMILES notation for 4-but-3-enoxypyridine-2-carbonitrile?
The canonical SMILES for 4-but-3-enoxypyridine-2-carbonitrile is C=CCCOc1ccnc(C#N)c1.
What is the InChIKey of 4-but-3-enoxypyridine-2-carbonitrile?
The InChIKey is ZKMUTGSAOHPPIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-2-3-6-13-10-4-5-12-9(7-10)8-11/h2,4-5,7H,1,3,6H2.
What are the key properties of 4-but-3-enoxypyridine-2-carbonitrile?
4-but-3-enoxypyridine-2-carbonitrile has a molecular weight of 174.20 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxypyridine-2-carbonitrile is sourced from PubChem (CID 62936255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).