2-(2-prop-2-enylphenoxy)propanenitrile

C12H13NO — CID 13355012

IUPAC2-(2-prop-2-enylphenoxy)propanenitrile
SMILESC=CCc1ccccc1OC(C)C#N
InChIInChI=1S/C12H13NO/c1-3-6-11-7-4-5-8-12(11)14-10(2)9-13/h3-5,7-8,10H,1,6H2,2H3
InChIKeyHKAAAFNOTYDISS-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.71
Rot. Bonds4

About 2-(2-prop-2-enylphenoxy)propanenitrile

2-(2-prop-2-enylphenoxy)propanenitrile (PubChem CID 13355012) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 2-(2-prop-2-enylphenoxy)propanenitrile.

Molecular Properties

Compound Name2-(2-prop-2-enylphenoxy)propanenitrile
PubChem CID13355012
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name2-(2-prop-2-enylphenoxy)propanenitrile
SMILESC=CCc1ccccc1OC(C)C#N
InChIInChI=1S/C12H13NO/c1-3-6-11-7-4-5-8-12(11)14-10(2)9-13/h3-5,7-8,10H,1,6H2,2H3
InChIKeyHKAAAFNOTYDISS-UHFFFAOYSA-N
XLogP2.71
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methylanisole
CID 33637
Dihydrobenzofuran
CID 10329
o-CRESYL GLYCIDYL ETHER
CID 16640
Tyrphostin A1
CID 2063
4-Benzyloxybenzonitrile
CID 561371
4-Methoxybenzonitrile
CID 70129
Benzeneacetonitrile, 4-methoxy-
CID 66031
(1,1'-Biphenyl)-4-carbonitrile, 4'-propoxy-
CID 104291
Benzyl Phenyl Ether
CID 70352
2,3-Dihydro-2-methylbenzofuran
CID 101130
Benzopyran
CID 9211
2-Vinylanisole
CID 61153

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enylphenoxy)propanenitrile?
The IUPAC name of 2-(2-prop-2-enylphenoxy)propanenitrile (CID 13355012) is 2-(2-prop-2-enylphenoxy)propanenitrile.
What is the SMILES notation for 2-(2-prop-2-enylphenoxy)propanenitrile?
The canonical SMILES for 2-(2-prop-2-enylphenoxy)propanenitrile is C=CCc1ccccc1OC(C)C#N.
What is the InChIKey of 2-(2-prop-2-enylphenoxy)propanenitrile?
The InChIKey is HKAAAFNOTYDISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-6-11-7-4-5-8-12(11)14-10(2)9-13/h3-5,7-8,10H,1,6H2,2H3.
What are the key properties of 2-(2-prop-2-enylphenoxy)propanenitrile?
2-(2-prop-2-enylphenoxy)propanenitrile has a molecular weight of 187.24 g/mol, XLogP of 2.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enylphenoxy)propanenitrile is sourced from PubChem (CID 13355012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).