2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine

C19H17NO — CID 166654735

IUPAC2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine
SMILESC=Cc1oc2ccc(-c3cccc(C)n3)cc2c1/C=C\C
InChIInChI=1S/C19H17NO/c1-4-7-15-16-12-14(17-9-6-8-13(3)20-17)10-11-19(16)21-18(15)5-2/h4-12H,2H2,1,3H3/b7-4-
InChIKeyDUBKEJGYZYIFNY-DAXSKMNVSA-N
MW275.35 g/mol
LogP5.48
Rot. Bonds3

About 2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine

2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine (PubChem CID 166654735) has the molecular formula C19H17NO and a molecular weight of 275.35 g/mol. Its IUPAC name is 2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine.

Molecular Properties

Compound Name2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine
PubChem CID166654735
Molecular FormulaC19H17NO
Molecular Weight275.35 g/mol
Exact Mass275.13
IUPAC Name2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine
SMILESC=Cc1oc2ccc(-c3cccc(C)n3)cc2c1/C=C\C
InChIInChI=1S/C19H17NO/c1-4-7-15-16-12-14(17-9-6-8-13(3)20-17)10-11-19(16)21-18(15)5-2/h4-12H,2H2,1,3H3/b7-4-
InChIKeyDUBKEJGYZYIFNY-DAXSKMNVSA-N
XLogP5.48
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.35
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-phenyl-1,3,5-triazine
CID 142384780
N-[4-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 166906795
5-[2-ethenyl-1-[(Z)-prop-1-enyl]-[1]benzofuro[3,2-e][1]benzofuran-9-yl]-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaene
CID 167256599
2-ethenyl-5-propan-2-yl-3-[(Z)-prop-1-enyl]-1-benzofuran
CID 144612981
2-ethenyl-4-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran
CID 130336629
3-ethenyl-5-(10-phenylanthracen-9-yl)-2-[(Z)-prop-1-enyl]-1-benzofuran
CID 146215674
3-ethenyl-5-[4-(10-phenylanthracen-9-yl)naphthalen-1-yl]-2-[(Z)-prop-1-enyl]-1-benzofuran
CID 156556318
2-bromo-4-[2-methyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]quinazoline
CID 137427279
[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-7-yl]boronic acid
CID 144640440
2-(3,4-difluorophenyl)-6-methylpyridine
CID 67475001
2-ethenyl-5-methyl-3,4-bis[(Z)-prop-1-enyl]furan
CID 142510186
2-ethenyl-1-[(Z)-prop-1-enyl]-6-(3-pyrido[1,2-b]indazol-8-ylphenyl)furo[2,3-k]phenanthridine
CID 129127648

Frequently Asked Questions

What is the IUPAC name of 2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine?
The IUPAC name of 2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine (CID 166654735) is 2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine.
What is the SMILES notation for 2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine?
The canonical SMILES for 2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine is C=Cc1oc2ccc(-c3cccc(C)n3)cc2c1/C=C\C.
What is the InChIKey of 2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine?
The InChIKey is DUBKEJGYZYIFNY-DAXSKMNVSA-N. The full InChI is InChI=1S/C19H17NO/c1-4-7-15-16-12-14(17-9-6-8-13(3)20-17)10-11-19(16)21-18(15)5-2/h4-12H,2H2,1,3H3/b7-4-.
What are the key properties of 2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine?
2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine has a molecular weight of 275.35 g/mol, XLogP of 5.48, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-ethenyl-3-[(Z)-prop-1-enyl]-1-benzofuran-5-yl]-6-methylpyridine is sourced from PubChem (CID 166654735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).