2-(4-acetyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile

C14H13NO3 — CID 116986761

IUPAC2-(4-acetyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile
SMILESCC(=O)c1c2c(c(CC#N)c3c1OCC3)OCC2
InChIInChI=1S/C14H13NO3/c1-8(16)12-11-4-7-17-13(11)9(2-5-15)10-3-6-18-14(10)12/h2-4,6-7H2,1H3
InChIKeyPBMNOABPQFUZPA-UHFFFAOYSA-N
MW243.26 g/mol
LogP1.83
Rot. Bonds2

About 2-(4-acetyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile

2-(4-acetyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile (PubChem CID 116986761) has the molecular formula C14H13NO3 and a molecular weight of 243.26 g/mol. Its IUPAC name is 2-(4-acetyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-acetyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile
PubChem CID116986761
Molecular FormulaC14H13NO3
Molecular Weight243.26 g/mol
Exact Mass243.09
IUPAC Name2-(4-acetyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile
SMILESCC(=O)c1c2c(c(CC#N)c3c1OCC3)OCC2
InChIInChI=1S/C14H13NO3/c1-8(16)12-11-4-7-17-13(11)9(2-5-15)10-3-6-18-14(10)12/h2-4,6-7H2,1H3
InChIKeyPBMNOABPQFUZPA-UHFFFAOYSA-N
XLogP1.83
TPSA59.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-acetyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile with MolForge

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Related Compounds

2-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile
CID 58589743
1-(4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)ethanone
CID 115010612
2-(5-bromo-2,3,4,7,8,9-hexahydropyrano[2,3-g]chromen-10-yl)acetonitrile
CID 117492995
8-cyano-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-carboxylic acid
CID 116986661
4-(methylamino)-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylic acid
CID 116986659
1-(4-methoxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)propan-2-one
CID 117373298
2-(6-fluoro-2,3-dihydro-1-benzofuran-7-yl)acetonitrile
CID 117277411
methyl 3-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)propanoate
CID 116986532
2-(methylamino)-1-(8-methyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-4-yl)ethanone
CID 117370347
2-(4-hydroxy-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetic acid
CID 117344271
methyl 4-bromo-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-carboxylate
CID 116986374
2-(6,7-dimethoxy-2,3-dihydro-1-benzofuran-4-yl)acetonitrile
CID 10680376

Frequently Asked Questions

What is the IUPAC name of 2-(4-acetyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile?
The IUPAC name of 2-(4-acetyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile (CID 116986761) is 2-(4-acetyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile.
What is the SMILES notation for 2-(4-acetyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile?
The canonical SMILES for 2-(4-acetyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile is CC(=O)c1c2c(c(CC#N)c3c1OCC3)OCC2.
What is the InChIKey of 2-(4-acetyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile?
The InChIKey is PBMNOABPQFUZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO3/c1-8(16)12-11-4-7-17-13(11)9(2-5-15)10-3-6-18-14(10)12/h2-4,6-7H2,1H3.
What are the key properties of 2-(4-acetyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile?
2-(4-acetyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile has a molecular weight of 243.26 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-acetyl-2,3,6,7-tetrahydrofuro[2,3-f][1]benzofuran-8-yl)acetonitrile is sourced from PubChem (CID 116986761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).