3-butan-2-yloxy-4-prop-1-en-2-ylpyridine

C12H17NO — CID 176949415

IUPAC3-butan-2-yloxy-4-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ccncc1OC(C)CC
InChIInChI=1S/C12H17NO/c1-5-10(4)14-12-8-13-7-6-11(12)9(2)3/h6-8,10H,2,5H2,1,3-4H3
InChIKeyXGQNCJUHCLJUGH-UHFFFAOYSA-N
MW191.27 g/mol
LogP3.29
Rot. Bonds4

About 3-butan-2-yloxy-4-prop-1-en-2-ylpyridine

3-butan-2-yloxy-4-prop-1-en-2-ylpyridine (PubChem CID 176949415) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-butan-2-yloxy-4-prop-1-en-2-ylpyridine.

Molecular Properties

Compound Name3-butan-2-yloxy-4-prop-1-en-2-ylpyridine
PubChem CID176949415
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-butan-2-yloxy-4-prop-1-en-2-ylpyridine
SMILESC=C(C)c1ccncc1OC(C)CC
InChIInChI=1S/C12H17NO/c1-5-10(4)14-12-8-13-7-6-11(12)9(2)3/h6-8,10H,2,5H2,1,3-4H3
InChIKeyXGQNCJUHCLJUGH-UHFFFAOYSA-N
XLogP3.29
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-butan-2-yloxypyridine-4-carbonitrile
CID 19432811
3-cyclopropyloxy-4-prop-1-en-2-ylpyridine
CID 123922640
3-(1-ethoxypropan-2-yloxy)pyridine-4-carbothioamide
CID 103488300
3-(1-amino-1-oxobutan-2-yl)oxypyridine-4-carboxylic acid
CID 81446130
4-ethyl-3-propan-2-yloxypyridine
CID 123491232
1-(3-ethoxy-4-pyridinyl)ethanone
CID 83873268
3-amino-N-(3-butan-2-yloxyphenyl)pyridine-4-carboxamide
CID 105069782
1-[3-(2-methylpropoxy)-4-pyridinyl]propan-1-one
CID 174637541
3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide
CID 105063550
1-(3-ethoxy-4-pyridinyl)ethanol
CID 115013248
3-methoxy-4-propan-2-yloxypyridine
CID 167334924
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-4-prop-1-en-2-ylpyridine?
The IUPAC name of 3-butan-2-yloxy-4-prop-1-en-2-ylpyridine (CID 176949415) is 3-butan-2-yloxy-4-prop-1-en-2-ylpyridine.
What is the SMILES notation for 3-butan-2-yloxy-4-prop-1-en-2-ylpyridine?
The canonical SMILES for 3-butan-2-yloxy-4-prop-1-en-2-ylpyridine is C=C(C)c1ccncc1OC(C)CC.
What is the InChIKey of 3-butan-2-yloxy-4-prop-1-en-2-ylpyridine?
The InChIKey is XGQNCJUHCLJUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-5-10(4)14-12-8-13-7-6-11(12)9(2)3/h6-8,10H,2,5H2,1,3-4H3.
What are the key properties of 3-butan-2-yloxy-4-prop-1-en-2-ylpyridine?
3-butan-2-yloxy-4-prop-1-en-2-ylpyridine has a molecular weight of 191.27 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-4-prop-1-en-2-ylpyridine is sourced from PubChem (CID 176949415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).