6-but-3-enyl-1-[(4-methoxyphenyl)methyl]-2H-pyridine

C17H21NO — CID 175998832

IUPAC6-but-3-enyl-1-[(4-methoxyphenyl)methyl]-2H-pyridine
SMILESC=CCCC1=CC=CCN1Cc1ccc(OC)cc1
InChIInChI=1S/C17H21NO/c1-3-4-7-16-8-5-6-13-18(16)14-15-9-11-17(19-2)12-10-15/h3,5-6,8-12H,1,4,7,13-14H2,2H3
InChIKeyZNGLLFONYXTWNW-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.92
Rot. Bonds6

About 6-but-3-enyl-1-[(4-methoxyphenyl)methyl]-2H-pyridine

6-but-3-enyl-1-[(4-methoxyphenyl)methyl]-2H-pyridine (PubChem CID 175998832) has the molecular formula C17H21NO and a molecular weight of 255.36 g/mol. Its IUPAC name is 6-but-3-enyl-1-[(4-methoxyphenyl)methyl]-2H-pyridine.

Molecular Properties

Compound Name6-but-3-enyl-1-[(4-methoxyphenyl)methyl]-2H-pyridine
PubChem CID175998832
Molecular FormulaC17H21NO
Molecular Weight255.36 g/mol
Exact Mass255.16
IUPAC Name6-but-3-enyl-1-[(4-methoxyphenyl)methyl]-2H-pyridine
SMILESC=CCCC1=CC=CCN1Cc1ccc(OC)cc1
InChIInChI=1S/C17H21NO/c1-3-4-7-16-8-5-6-13-18(16)14-15-9-11-17(19-2)12-10-15/h3,5-6,8-12H,1,4,7,13-14H2,2H3
InChIKeyZNGLLFONYXTWNW-UHFFFAOYSA-N
XLogP3.92
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(4-methoxyphenyl)methyl]-2,3,4,5-tetrahydroimidazo[1,2-a]pyridin-4-ium bromide
CID 67192205
1-but-3-enylsulfonyl-4-[(4-methoxyphenyl)methyl]piperazine
CID 86779442
1-but-3-enyl-4-[(4-methoxyphenyl)methyl]pyrazine-2,3-dione
CID 163351485
1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione
CID 91314471
1-[(4-methoxyphenyl)methyl]-4-prop-2-enyl-1,4-diazepane
CID 51075596
1-hex-5-enoxy-4-[(4-methoxyphenyl)methyl]benzene
CID 101232292
3,10,17,24-tetrakis[(4-methoxyphenyl)methyl]-3,10,17,24-tetrazapentacyclo[24.2.2.25,8.212,15.219,22]hexatriaconta-1(29),5,7,12,14,19(32),20,22(31),26(30),27,33,35-dodecaene-2,9,16,23-tetrone
CID 132575390
5-iodo-1-[(4-methoxyphenyl)methyl]-4-pent-4-enyltriazole
CID 90091461
4-but-3-enyl-2-[(4-methoxyphenyl)methyl]-10-methyl-4-prop-2-enyl-3H-azepino[3,4-b]indole-1,5-dione
CID 101356800
1-(1-deuterioprop-2-enyl)-4-methoxybenzene
CID 131851779
6-ethenyl-2-[(4-methoxyphenyl)methyl]-3,4-dihydroisoquinolin-1-one
CID 59138906
(4R)-4-ethenyl-1-[(4-methoxyphenyl)methyl]-3-(3-methylbuta-1,2-dienyl)imidazolidin-2-one
CID 102400551

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enyl-1-[(4-methoxyphenyl)methyl]-2H-pyridine?
The IUPAC name of 6-but-3-enyl-1-[(4-methoxyphenyl)methyl]-2H-pyridine (CID 175998832) is 6-but-3-enyl-1-[(4-methoxyphenyl)methyl]-2H-pyridine.
What is the SMILES notation for 6-but-3-enyl-1-[(4-methoxyphenyl)methyl]-2H-pyridine?
The canonical SMILES for 6-but-3-enyl-1-[(4-methoxyphenyl)methyl]-2H-pyridine is C=CCCC1=CC=CCN1Cc1ccc(OC)cc1.
What is the InChIKey of 6-but-3-enyl-1-[(4-methoxyphenyl)methyl]-2H-pyridine?
The InChIKey is ZNGLLFONYXTWNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO/c1-3-4-7-16-8-5-6-13-18(16)14-15-9-11-17(19-2)12-10-15/h3,5-6,8-12H,1,4,7,13-14H2,2H3.
What are the key properties of 6-but-3-enyl-1-[(4-methoxyphenyl)methyl]-2H-pyridine?
6-but-3-enyl-1-[(4-methoxyphenyl)methyl]-2H-pyridine has a molecular weight of 255.36 g/mol, XLogP of 3.92, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enyl-1-[(4-methoxyphenyl)methyl]-2H-pyridine is sourced from PubChem (CID 175998832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).