(E)-3-(4-cyclopentyloxyphenyl)prop-2-enenitrile

C14H15NO — CID 82161373

IUPAC(E)-3-(4-cyclopentyloxyphenyl)prop-2-enenitrile
SMILESN#C/C=C/c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C14H15NO/c15-11-3-4-12-7-9-14(10-8-12)16-13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6H2/b4-3+
InChIKeyNBQITTSOTUZLOJ-ONEGZZNKSA-N
MW213.28 g/mol
LogP3.54
Rot. Bonds3

About (E)-3-(4-cyclopentyloxyphenyl)prop-2-enenitrile

(E)-3-(4-cyclopentyloxyphenyl)prop-2-enenitrile (PubChem CID 82161373) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is (E)-3-(4-cyclopentyloxyphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(4-cyclopentyloxyphenyl)prop-2-enenitrile
PubChem CID82161373
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name(E)-3-(4-cyclopentyloxyphenyl)prop-2-enenitrile
SMILESN#C/C=C/c1ccc(OC2CCCC2)cc1
InChIInChI=1S/C14H15NO/c15-11-3-4-12-7-9-14(10-8-12)16-13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6H2/b4-3+
InChIKeyNBQITTSOTUZLOJ-ONEGZZNKSA-N
XLogP3.54
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-cyclopentyloxyphenyl)prop-2-enenitrile?
The IUPAC name of (E)-3-(4-cyclopentyloxyphenyl)prop-2-enenitrile (CID 82161373) is (E)-3-(4-cyclopentyloxyphenyl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(4-cyclopentyloxyphenyl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(4-cyclopentyloxyphenyl)prop-2-enenitrile is N#C/C=C/c1ccc(OC2CCCC2)cc1.
What is the InChIKey of (E)-3-(4-cyclopentyloxyphenyl)prop-2-enenitrile?
The InChIKey is NBQITTSOTUZLOJ-ONEGZZNKSA-N. The full InChI is InChI=1S/C14H15NO/c15-11-3-4-12-7-9-14(10-8-12)16-13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6H2/b4-3+.
What are the key properties of (E)-3-(4-cyclopentyloxyphenyl)prop-2-enenitrile?
(E)-3-(4-cyclopentyloxyphenyl)prop-2-enenitrile has a molecular weight of 213.28 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-cyclopentyloxyphenyl)prop-2-enenitrile is sourced from PubChem (CID 82161373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).