1-(2-ethenylbenzo[f][1]benzofuran-3-yl)-N-methylmethanimine

C16H13NO — CID 170257473

IUPAC1-(2-ethenylbenzo[f][1]benzofuran-3-yl)-N-methylmethanimine
SMILESC=Cc1oc2cc3ccccc3cc2c1/C=N/C
InChIInChI=1S/C16H13NO/c1-3-15-14(10-17-2)13-8-11-6-4-5-7-12(11)9-16(13)18-15/h3-10H,1H2,2H3/b17-10+
InChIKeyJQGCTMCHYASJNG-LICLKQGHSA-N
MW235.29 g/mol
LogP4.28
Rot. Bonds2

About 1-(2-ethenylbenzo[f][1]benzofuran-3-yl)-N-methylmethanimine

1-(2-ethenylbenzo[f][1]benzofuran-3-yl)-N-methylmethanimine (PubChem CID 170257473) has the molecular formula C16H13NO and a molecular weight of 235.29 g/mol. Its IUPAC name is 1-(2-ethenylbenzo[f][1]benzofuran-3-yl)-N-methylmethanimine.

Molecular Properties

Compound Name1-(2-ethenylbenzo[f][1]benzofuran-3-yl)-N-methylmethanimine
PubChem CID170257473
Molecular FormulaC16H13NO
Molecular Weight235.29 g/mol
Exact Mass235.10
IUPAC Name1-(2-ethenylbenzo[f][1]benzofuran-3-yl)-N-methylmethanimine
SMILESC=Cc1oc2cc3ccccc3cc2c1/C=N/C
InChIInChI=1S/C16H13NO/c1-3-15-14(10-17-2)13-8-11-6-4-5-7-12(11)9-16(13)18-15/h3-10H,1H2,2H3/b17-10+
InChIKeyJQGCTMCHYASJNG-LICLKQGHSA-N
XLogP4.28
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-ethenyl-3-[(Z)-prop-1-enyl]naphtho[2,3-b][1]benzofuran
CID 166880404
1-[5-[8-([1]benzofuro[3,2-c]pyridin-8-yl)dibenzofuran-2-yl]oxy-2-ethenyl-1-benzofuran-3-yl]-N-methylmethanimine
CID 134524777
naphtho[2,3-c]isochromen-5-one
CID 11379597
12,22-dioxahexacyclo[11.11.0.02,11.04,9.015,23.016,21]tetracosa-1(13),2,4,6,8,10,14,16,18,20,23-undecaene
CID 118151066
[2,3-bis(ethenyl)-4-oxobenzo[g]chromen-9-yl] acetate
CID 145218433
2,3-bis(ethenyl)-6-ethyl-1-benzofuran;ethane
CID 142061376
7-bromo-12-oxapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,13,15,17,19-decaene
CID 155318564
2,3-bis(ethenyl)-6-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]-1-benzofuran
CID 157412437
2-[3-[(1Z)-buta-1,3-dienyl]-2-methyl-4-phenylnaphthalen-1-yl]naphtho[2,3-b][1]benzofuran
CID 167304376
2,16-dimethyl-14,28-dioxaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4,6,8,10,12,15,18,20,22,24,26-tridecaene
CID 126657797
11-ethenyl-13-ethylidene-12-methyl-10-oxatricyclo[7.4.1.05,14]tetradeca-1,3,5(14),6,8,11-hexaene
CID 123317264
2,3-bis(ethenyl)-1-benzofuran-6-carbaldehyde
CID 144768178

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylbenzo[f][1]benzofuran-3-yl)-N-methylmethanimine?
The IUPAC name of 1-(2-ethenylbenzo[f][1]benzofuran-3-yl)-N-methylmethanimine (CID 170257473) is 1-(2-ethenylbenzo[f][1]benzofuran-3-yl)-N-methylmethanimine.
What is the SMILES notation for 1-(2-ethenylbenzo[f][1]benzofuran-3-yl)-N-methylmethanimine?
The canonical SMILES for 1-(2-ethenylbenzo[f][1]benzofuran-3-yl)-N-methylmethanimine is C=Cc1oc2cc3ccccc3cc2c1/C=N/C.
What is the InChIKey of 1-(2-ethenylbenzo[f][1]benzofuran-3-yl)-N-methylmethanimine?
The InChIKey is JQGCTMCHYASJNG-LICLKQGHSA-N. The full InChI is InChI=1S/C16H13NO/c1-3-15-14(10-17-2)13-8-11-6-4-5-7-12(11)9-16(13)18-15/h3-10H,1H2,2H3/b17-10+.
What are the key properties of 1-(2-ethenylbenzo[f][1]benzofuran-3-yl)-N-methylmethanimine?
1-(2-ethenylbenzo[f][1]benzofuran-3-yl)-N-methylmethanimine has a molecular weight of 235.29 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylbenzo[f][1]benzofuran-3-yl)-N-methylmethanimine is sourced from PubChem (CID 170257473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).