(2E)-2-butylidene-3-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine

C16H25NO — CID 144782762

IUPAC(2E)-2-butylidene-3-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine
SMILESCCC/C=C1\C(OC)=CC=CN1/C(C)=C(\C)CC
InChIInChI=1S/C16H25NO/c1-6-8-10-15-16(18-5)11-9-12-17(15)14(4)13(3)7-2/h9-12H,6-8H2,1-5H3/b14-13+,15-10+
InChIKeyVIKQNQZHYJCCNU-SKDLNQQGSA-N
MW247.38 g/mol
LogP4.73
Rot. Bonds5

About (2E)-2-butylidene-3-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine

(2E)-2-butylidene-3-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine (PubChem CID 144782762) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is (2E)-2-butylidene-3-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine.

Molecular Properties

Compound Name(2E)-2-butylidene-3-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine
PubChem CID144782762
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name(2E)-2-butylidene-3-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine
SMILESCCC/C=C1\C(OC)=CC=CN1/C(C)=C(\C)CC
InChIInChI=1S/C16H25NO/c1-6-8-10-15-16(18-5)11-9-12-17(15)14(4)13(3)7-2/h9-12H,6-8H2,1-5H3/b14-13+,15-10+
InChIKeyVIKQNQZHYJCCNU-SKDLNQQGSA-N
XLogP4.73
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-Fluoro-2-methylidenehexa-3,5-dienoxy)-1,5-dimethyl-2-methylidenepyridine
CID 123792333
3-Methoxy-5-methyl-2-methylidene-1-(2,2,2-trifluoroethyl)pyridine
CID 157089353
1-(2,2-Difluoroethyl)-3-methoxy-5-methyl-2-methylidenepyridine
CID 162194484
(2E)-1-[(E)-3,3-difluoro-2-methylprop-1-enyl]-2-ethylidene-3-methoxy-5-methylpyridine
CID 164910600
3-Methoxy-5-methyl-2-methylidene-1-prop-1-en-2-ylpyridine
CID 130255753
6-methoxy-N-prop-1-en-2-yl-N-propylcyclohexa-1,5-dien-1-amine
CID 130420897
(2E,4Z)-N-butan-2-yl-6-methoxy-N-[(5-methoxycyclohexa-1,5-dien-1-yl)methyl]hepta-2,4,6-trien-3-amine
CID 138519234
(2E,3E)-4-methyl-3-(2-methylpropylidene)-2-prop-2-enylidenemorpholine
CID 138531975
1,2-dimethoxy-6H-benzo[a]quinolizine
CID 141168404
(2E)-2-(2-methoxy-3-methylbut-2-enylidene)-1-methyl-3-methylidenepyrrole
CID 142144047
4,7-dimethyl-3,8-dihydro-2H-cyclohepta[b][1,4]oxazine;ethane
CID 142474861
4,5-dimethyl-6-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydro-1,4-oxazine
CID 143420173

Frequently Asked Questions

What is the IUPAC name of (2E)-2-butylidene-3-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine?
The IUPAC name of (2E)-2-butylidene-3-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine (CID 144782762) is (2E)-2-butylidene-3-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine.
What is the SMILES notation for (2E)-2-butylidene-3-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine?
The canonical SMILES for (2E)-2-butylidene-3-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine is CCC/C=C1\C(OC)=CC=CN1/C(C)=C(\C)CC.
What is the InChIKey of (2E)-2-butylidene-3-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine?
The InChIKey is VIKQNQZHYJCCNU-SKDLNQQGSA-N. The full InChI is InChI=1S/C16H25NO/c1-6-8-10-15-16(18-5)11-9-12-17(15)14(4)13(3)7-2/h9-12H,6-8H2,1-5H3/b14-13+,15-10+.
What are the key properties of (2E)-2-butylidene-3-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine?
(2E)-2-butylidene-3-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine has a molecular weight of 247.38 g/mol, XLogP of 4.73, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-butylidene-3-methoxy-1-[(E)-3-methylpent-2-en-2-yl]pyridine is sourced from PubChem (CID 144782762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).