2-phenoxypropanenitrile

C9H9NO — CID 19094436

IUPAC2-phenoxypropanenitrile
SMILESCC(C#N)Oc1ccccc1
InChIInChI=1S/C9H9NO/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKeyMBVIMYRMRHPFKN-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.98
Rot. Bonds2

About 2-phenoxypropanenitrile

2-phenoxypropanenitrile (PubChem CID 19094436) has the molecular formula C9H9NO and a molecular weight of 147.18 g/mol. Its IUPAC name is 2-phenoxypropanenitrile.

Molecular Properties

Compound Name2-phenoxypropanenitrile
PubChem CID19094436
Molecular FormulaC9H9NO
Molecular Weight147.18 g/mol
Exact Mass147.07
IUPAC Name2-phenoxypropanenitrile
SMILESCC(C#N)Oc1ccccc1
InChIInChI=1S/C9H9NO/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8H,1H3
InChIKeyMBVIMYRMRHPFKN-UHFFFAOYSA-N
XLogP1.98
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenoxypropanenitrile?
The IUPAC name of 2-phenoxypropanenitrile (CID 19094436) is 2-phenoxypropanenitrile.
What is the SMILES notation for 2-phenoxypropanenitrile?
The canonical SMILES for 2-phenoxypropanenitrile is CC(C#N)Oc1ccccc1.
What is the InChIKey of 2-phenoxypropanenitrile?
The InChIKey is MBVIMYRMRHPFKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO/c1-8(7-10)11-9-5-3-2-4-6-9/h2-6,8H,1H3.
What are the key properties of 2-phenoxypropanenitrile?
2-phenoxypropanenitrile has a molecular weight of 147.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxypropanenitrile is sourced from PubChem (CID 19094436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).