2-(3-methoxyfuran-2-yl)acetonitrile

C7H7NO2 — CID 119088486

IUPAC2-(3-methoxyfuran-2-yl)acetonitrile
SMILESCOc1ccoc1CC#N
InChIInChI=1S/C7H7NO2/c1-9-6-3-5-10-7(6)2-4-8/h3,5H,2H2,1H3
InChIKeyCRFMEDXJNIMBTE-UHFFFAOYSA-N
MW137.14 g/mol
LogP1.35
Rot. Bonds2

About 2-(3-methoxyfuran-2-yl)acetonitrile

2-(3-methoxyfuran-2-yl)acetonitrile (PubChem CID 119088486) has the molecular formula C7H7NO2 and a molecular weight of 137.14 g/mol. Its IUPAC name is 2-(3-methoxyfuran-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(3-methoxyfuran-2-yl)acetonitrile
PubChem CID119088486
Molecular FormulaC7H7NO2
Molecular Weight137.14 g/mol
Exact Mass137.05
IUPAC Name2-(3-methoxyfuran-2-yl)acetonitrile
SMILESCOc1ccoc1CC#N
InChIInChI=1S/C7H7NO2/c1-9-6-3-5-10-7(6)2-4-8/h3,5H,2H2,1H3
InChIKeyCRFMEDXJNIMBTE-UHFFFAOYSA-N
XLogP1.35
TPSA46.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.14
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-methoxyfuran-2-yl)methanethiol
CID 91874217
3-(3-methoxyfuran-2-yl)propan-1-amine
CID 166040043
2-(3-bromo-6-methoxy-2-methylphenyl)acetonitrile
CID 84800303
2-(7-methoxy-1-benzofuran-3-yl)acetonitrile
CID 15618729
3-methoxyfuran-2-amine
CID 69333703
3-methoxyfuran-2-thiol
CID 173178330
2-[(3-bromofuran-2-yl)methylamino]-3-methoxybenzonitrile
CID 107467156
2-(7-methoxy-2,3-dihydro-1H-inden-4-yl)acetonitrile
CID 84770381
3-amino-2-(cyanomethyl)-6-methoxybenzonitrile
CID 171013182
1-(3-methoxyfuran-2-yl)ethanone
CID 23271201
2-(4-iodo-2,6-dimethoxyphenyl)acetonitrile
CID 119002608
2-ethoxy-3-methoxyfuran
CID 154198368

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyfuran-2-yl)acetonitrile?
The IUPAC name of 2-(3-methoxyfuran-2-yl)acetonitrile (CID 119088486) is 2-(3-methoxyfuran-2-yl)acetonitrile.
What is the SMILES notation for 2-(3-methoxyfuran-2-yl)acetonitrile?
The canonical SMILES for 2-(3-methoxyfuran-2-yl)acetonitrile is COc1ccoc1CC#N.
What is the InChIKey of 2-(3-methoxyfuran-2-yl)acetonitrile?
The InChIKey is CRFMEDXJNIMBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO2/c1-9-6-3-5-10-7(6)2-4-8/h3,5H,2H2,1H3.
What are the key properties of 2-(3-methoxyfuran-2-yl)acetonitrile?
2-(3-methoxyfuran-2-yl)acetonitrile has a molecular weight of 137.14 g/mol, XLogP of 1.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyfuran-2-yl)acetonitrile is sourced from PubChem (CID 119088486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).