3-[1-(2-methylprop-1-enoxy)ethenyl]pyridine

C11H13NO — CID 130370265

IUPAC3-[1-(2-methylprop-1-enoxy)ethenyl]pyridine
SMILESC=C(OC=C(C)C)c1cccnc1
InChIInChI=1S/C11H13NO/c1-9(2)8-13-10(3)11-5-4-6-12-7-11/h4-8H,3H2,1-2H3
InChIKeyWYLAVLSFRBHBGP-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.99
Rot. Bonds3

About 3-[1-(2-methylprop-1-enoxy)ethenyl]pyridine

3-[1-(2-methylprop-1-enoxy)ethenyl]pyridine (PubChem CID 130370265) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 3-[1-(2-methylprop-1-enoxy)ethenyl]pyridine.

Molecular Properties

Compound Name3-[1-(2-methylprop-1-enoxy)ethenyl]pyridine
PubChem CID130370265
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name3-[1-(2-methylprop-1-enoxy)ethenyl]pyridine
SMILESC=C(OC=C(C)C)c1cccnc1
InChIInChI=1S/C11H13NO/c1-9(2)8-13-10(3)11-5-4-6-12-7-11/h4-8H,3H2,1-2H3
InChIKeyWYLAVLSFRBHBGP-UHFFFAOYSA-N
XLogP2.99
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

3-[(Z)-but-2-en-2-yl]pyridine
CID 101055092
1-pyridin-3-ylethanethione
CID 11815891
(E)-1-pyridin-3-yl-N-[(E)-1-pyridin-3-ylethylideneamino]ethanimine
CID 5405316
1-pyridin-3-ylethanone;hydrochloride
CID 69233376
2-oxopropyl pyridine-3-carboxylate
CID 69192363
N-methoxy-1-pyridin-3-ylethanimine
CID 57395319
(1Z)-3-pyridin-3-ylbuta-1,3-dien-1-amine
CID 142226114
N-[(1Z)-2,3-dimethyl-1-pyridin-3-ylbuta-1,3-dienyl]ethanimine;ethane
CID 169200028
2-pyridin-3-ylpent-1-en-3-one
CID 155931297
2-(methylamino)-1-pyridin-3-ylprop-2-en-1-one
CID 141355230
(111C)methyl pyridine-3-carboxylate
CID 11309537
formonitrile;1-pyridin-3-ylethanone
CID 174750729

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-methylprop-1-enoxy)ethenyl]pyridine?
The IUPAC name of 3-[1-(2-methylprop-1-enoxy)ethenyl]pyridine (CID 130370265) is 3-[1-(2-methylprop-1-enoxy)ethenyl]pyridine.
What is the SMILES notation for 3-[1-(2-methylprop-1-enoxy)ethenyl]pyridine?
The canonical SMILES for 3-[1-(2-methylprop-1-enoxy)ethenyl]pyridine is C=C(OC=C(C)C)c1cccnc1.
What is the InChIKey of 3-[1-(2-methylprop-1-enoxy)ethenyl]pyridine?
The InChIKey is WYLAVLSFRBHBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c1-9(2)8-13-10(3)11-5-4-6-12-7-11/h4-8H,3H2,1-2H3.
What are the key properties of 3-[1-(2-methylprop-1-enoxy)ethenyl]pyridine?
3-[1-(2-methylprop-1-enoxy)ethenyl]pyridine has a molecular weight of 175.23 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-methylprop-1-enoxy)ethenyl]pyridine is sourced from PubChem (CID 130370265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).