2-(1-cyanoethoxy)benzonitrile

C10H8N2O — CID 60644293

IUPAC2-(1-cyanoethoxy)benzonitrile
SMILESCC(C#N)Oc1ccccc1C#N
InChIInChI=1S/C10H8N2O/c1-8(6-11)13-10-5-3-2-4-9(10)7-12/h2-5,8H,1H3
InChIKeyKRVBVMIHOATZGH-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.85
Rot. Bonds2

About 2-(1-cyanoethoxy)benzonitrile

2-(1-cyanoethoxy)benzonitrile (PubChem CID 60644293) has the molecular formula C10H8N2O and a molecular weight of 172.19 g/mol. Its IUPAC name is 2-(1-cyanoethoxy)benzonitrile.

Molecular Properties

Compound Name2-(1-cyanoethoxy)benzonitrile
PubChem CID60644293
Molecular FormulaC10H8N2O
Molecular Weight172.19 g/mol
Exact Mass172.06
IUPAC Name2-(1-cyanoethoxy)benzonitrile
SMILESCC(C#N)Oc1ccccc1C#N
InChIInChI=1S/C10H8N2O/c1-8(6-11)13-10-5-3-2-4-9(10)7-12/h2-5,8H,1H3
InChIKeyKRVBVMIHOATZGH-UHFFFAOYSA-N
XLogP1.85
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethane;propane;2-propan-2-yloxybenzonitrile
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2-(2-nitrophenoxy)propanenitrile
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2-(1-bromobutoxy)benzonitrile
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methyl 2-(2-cyanophenoxy)propanoate
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2-(2-prop-2-enylphenoxy)propanenitrile
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2-[1-[(2S)-oxiran-2-yl]ethoxy]benzonitrile
CID 86640575
2-(2-cyanophenoxy)benzonitrile
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2-(5,8-dihydronaphthalen-1-yloxy)propanenitrile
CID 12894956
(2-cyanophenyl) hypoiodite
CID 154315791
methyl 3-(2-cyanophenoxy)butanoate
CID 43536058
2-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]oxybenzonitrile
CID 7560443
(2R)-2-(2-cyanophenoxy)-N-(4-methylphenyl)propanamide
CID 2565309

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyanoethoxy)benzonitrile?
The IUPAC name of 2-(1-cyanoethoxy)benzonitrile (CID 60644293) is 2-(1-cyanoethoxy)benzonitrile.
What is the SMILES notation for 2-(1-cyanoethoxy)benzonitrile?
The canonical SMILES for 2-(1-cyanoethoxy)benzonitrile is CC(C#N)Oc1ccccc1C#N.
What is the InChIKey of 2-(1-cyanoethoxy)benzonitrile?
The InChIKey is KRVBVMIHOATZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O/c1-8(6-11)13-10-5-3-2-4-9(10)7-12/h2-5,8H,1H3.
What are the key properties of 2-(1-cyanoethoxy)benzonitrile?
2-(1-cyanoethoxy)benzonitrile has a molecular weight of 172.19 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyanoethoxy)benzonitrile is sourced from PubChem (CID 60644293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).